[Octopus-users] error octopus 3.2.0 tests with parallel mode activated
Miguel Pan Fidalgo
mpan at cesga.es
Mon Nov 30 15:50:28 WET 2009
Hi,
thanks for the answer David,
the problem was the use of mpiexec,. The nodes don't "up" mpdboot
automatically, if I use mpirun instead of mpiexec the things begin to work.
$ cat script_03_tests-modificado-MPIEXEC.sh.LOG
...
Passed: 1 / 38
Skipped: 3 / 38
Failed: 34 / 38
...
$ cat script_03_tests-modificado-MPIRUN.sh.LOG
...
Passed: 34 / 38
Skipped: 3 / 38
Failed: 1 / 38
testfile # failed testcases
--------------------------------------------------------------------
finite_systems_3d/21-lobpcg.test 2
...
I only had to change the export sentence:
export MPIEXEC=`which mpirun`
make check
And, finally, the problem with the 21-lobpcg.test. It doesn't find a file
21-lobpcg.02-spinors.inp:
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.P40LWb
Using
executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/21-lobpcg.test
Using input file : ./finite_systems_3d/21-lobpcg.01-spin_polarized.inp
Starting test run ...
Executing:
cd /sfs/home/cesga/mpan/tmp/octopus.P40LWb; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n
2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
> out
Finished test run.
Eigenvalue 1 up: [ OK ]
Eigenvalue 1 dn: [ OK ]
Eigenvalue 2 up: [ OK ]
Eigenvalue 2 dn: [ OK ]
Eigenvalue 3 up: [ OK ]
Eigenvalue 3 dn: [ OK ]
Eigenvalue 4 up: [ OK ]
could not find input file: ./finite_systems_3d/21-lobpcg.02-spinors.inp
Eigenvalue 4 dn: [ OK ]
***** Geometry optimization *****
I'm working on it. ^_^
I attach the LOG files if someone wants more information.
--
Atentamente,
Miguel Pan Fidalgo (Applications Technician)
mail: mpan at cesga.es
Avda. de Vigo s/n 15705, Santiago de Compostela
Telf.: +34 981 569810 - Fax: 981 594616
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TMPDIR: /scratch/1887118.1.interactive/
TEMPDIRPATH:
TEMPDIRPATH: /sfs/home/cesga/mpan/tmp
MPIEXEC:
MPIEXEC: /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec
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make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/open_systems'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/open_systems'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
make[2]: Nothing to be done for `check-am'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
***** 1D-Hydrogen *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.7qjM8V
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_1d/01-hydrogen.test
Using input file : ./finite_systems_1d/01-hydrogen.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.7qjM8V; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: ground_state_static/info: No such file or directory
cat: ground_state_static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.66978603
Difference : 0.66978603
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: excited_states_static/eigenvalues: No such file or directory
cat: excited_states_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.017727
Difference : 0.017727
Tolerance : 0.0001
10th state : [ FAIL ]
***** 1D-Neon - MPI *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.HlwMzz
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_1d/02-neon_mpi.test
Using input file : ./finite_systems_1d/02-neon_mpi.01-ground_state-IP_par_domains.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.HlwMzz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 3 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -87.55795211
Difference : 87.55795211
Tolerance : 0.0001
Total energy : [ FAIL ]
Using input file : ./finite_systems_1d/02-neon_mpi.02-ground_state-kli_par_domains.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.HlwMzz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 3 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -61.03800278
Difference : 61.03800278
Tolerance : 0.0005
Total energy : [ FAIL ]
Using input file : ./finite_systems_1d/02-neon_mpi.03-td_calc-kli_par_states.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.HlwMzz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 5 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
***** Morse potential *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.eWCdTX
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_1d/09-morse.test
Using input file : ./finite_systems_1d/09-morse.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.eWCdTX; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
Using input file : ./finite_systems_1d/09-morse.02-unocc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.eWCdTX; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/eigenvalues: No such file or directory
cat: static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.190472
Difference : 0.190472
Tolerance : 0.0001
'E[nu=0]' : [ FAIL ]
cat: static/eigenvalues: No such file or directory
cat: static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.173229
Difference : 0.173229
Tolerance : 0.0001
'E[nu=1]' : [ FAIL ]
cat: static/eigenvalues: No such file or directory
cat: static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.156805
Difference : 0.156805
Tolerance : 0.0001
'E[nu=2]' : [ FAIL ]
cat: static/eigenvalues: No such file or directory
cat: static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.099285
Difference : 0.099285
Tolerance : 0.0001
'E[nu=6]' : [ FAIL ]
Using input file : ./finite_systems_1d/09-morse.03-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.eWCdTX; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/projections: No such file or directory
Match Failed
Calculated value :
Reference value : 1654
Difference : 1654
Tolerance : 0.0001
'<Psi(T)|Psi(0)> (niter)' : [ FAIL ]
cat: td.general/projections: No such file or directory
Match Failed
Calculated value :
Reference value : 4.135000000000e+02
Difference : 413.5
Tolerance : 0.0001
'<Psi(T)|Psi(0)> (time)' : [ FAIL ]
cat: td.general/projections: No such file or directory
Match Failed
Calculated value :
Reference value : -9.760443910921e-01
Difference : 0.9760443910921
Tolerance : 0.0001
'<Psi(T)|Psi(0)> (proj)' : [ FAIL ]
***** Quadratic Box *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.g15yDJ
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/01-quadratic_box.test
Using input file : ./finite_systems_2d/01-quadratic_box.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g15yDJ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.999921
Difference : 0.999921
Tolerance : 0.0001
Eigenvalue : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 1.000000
Difference : 1
Tolerance : 0.0001
Occupation : [ FAIL ]
Using input file : ./finite_systems_2d/01-quadratic_box.02-hartree.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g15yDJ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 3.768933
Difference : 3.768933
Tolerance : 0.0001
Eigenvalue : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 2.000000
Difference : 2
Tolerance : 0.0001
Occupation : [ FAIL ]
Using input file : ./finite_systems_2d/01-quadratic_box.03-hartree+xc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g15yDJ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 3.35400744
Difference : 3.35400744
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 2.739407
Difference : 2.739407
Tolerance : 0.0001
Eigenvalue : [ FAIL ]
Using input file : ./finite_systems_2d/01-quadratic_box.04-spin_polarized.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g15yDJ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 7.75925832
Difference : 7.75925832
Tolerance : 0.0001
Total energy : [ FAIL ]
***** Fock-Darwin spectrum *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.FR3CK3
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/02-fock-darwin.test
Using input file : ./finite_systems_2d/02-fock-darwin.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.FR3CK3; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.250200
Difference : 0.2502
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.490400
Difference : 0.4904
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.510400
Difference : 0.5104
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.730599
Difference : 0.730599
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.750599
Difference : 0.750599
Tolerance : 0.0001
Eigenvalue 5 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.770599
Difference : 0.770599
Tolerance : 0.0001
Eigenvalue 6 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.970798
Difference : 0.970798
Tolerance : 0.0001
Eigenvalue 7 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.990797
Difference : 0.990797
Tolerance : 0.0001
Eigenvalue 8 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 1.010796
Difference : 1.010796
Tolerance : 0.0001
Eigenvalue 9 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 1.030798
Difference : 1.030798
Tolerance : 0.0001
Eigenvalue 10 : [ FAIL ]
***** 1D-Helium *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.7kocyg
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/03-helium_atom.test
Using input file : ./finite_systems_2d/03-helium_atom.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.7kocyg; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -2.84045149
Difference : 2.84045149
Tolerance : 0.0001
Total energy : [ FAIL ]
Using input file : ./finite_systems_2d/03-helium_atom.02-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.7kocyg; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -2.23825108
Difference : 2.23825108
Tolerance : 0.0001
Total energy : [ FAIL ]
***** Hartree-Fock *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.D2TwOg
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/07-hartree_fock.test
Using input file : ./finite_systems_2d/07-hartree_fock.01-2electrons.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.D2TwOg; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 1.04191861
Difference : 1.04191861
Tolerance : 0.0001
Total energy : [ FAIL ]
***** Curvilinear Coordinates *****
No valid executable found for ./finite_systems_3d/02-curvilinear_coordinates.test
Skipping ...
***** Output *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.m1hUPG
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/05-output.test
Using input file : ./finite_systems_3d/05-output.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.m1hUPG; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -11.99584633
Difference : 11.99584633
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/geometry.xyz: No such file or directory
Geometry : [ FAIL ]
cat: static/density-sp1.dx: No such file or directory
Match Failed
Calculated value :
Reference value : -2.645886
Difference : 2.645886
Tolerance : 0.0001
DX Origin : [ FAIL ]
cat: static/density-sp1.dx: No such file or directory
Match Failed
Calculated value :
Reference value : 0.264589
Difference : 0.264589
Tolerance : 0.0001
DX Delta : [ FAIL ]
cat: static/density-sp1.dx: No such file or directory
Match Failed
Calculated value :
Reference value : 0.000166985354390
Difference : 0.00016698535439
Tolerance : 1e-09
DX value 1 : [ FAIL ]
cat: static/density-sp1.dx: No such file or directory
Match Failed
Calculated value :
Reference value : 0.001133461985917
Difference : 0.001133461985917
Tolerance : 1e-09
DX value 2 : [ FAIL ]
cat: static/density-sp1.y=0,z=0: No such file or directory
Match Failed
Calculated value :
Reference value : -2.64588604295000
Difference : 2.64588604295
Tolerance : 0.0001
Axis pos 1 : [ FAIL ]
cat: static/density-sp1.y=0,z=0: No such file or directory
Match Failed
Calculated value :
Reference value : -0.52917720859000
Difference : 0.52917720859
Tolerance : 0.0001
Axis pos 9 : [ FAIL ]
cat: static/density-sp1.y=0,z=0: No such file or directory
Match Failed
Calculated value :
Reference value : 1.58753162577000
Difference : 1.58753162577
Tolerance : 0.0001
Axis pos 17 : [ FAIL ]
cat: static/density-sp1.y=0,z=0: No such file or directory
Match Failed
Calculated value :
Reference value : 2.91389739403624E-006
Difference : 2.91389739403624e-06
Tolerance : 1e-09
Axis value 1 : [ FAIL ]
cat: static/density-sp1.y=0,z=0: No such file or directory
Match Failed
Calculated value :
Reference value : 2.75939509225883E-001
Difference : 0.275939509225883
Tolerance : 1e-06
Axis value 9 : [ FAIL ]
cat: static/density-sp1.y=0,z=0: No such file or directory
Match Failed
Calculated value :
Reference value : 6.57093245587566E-003
Difference : 0.00657093245587566
Tolerance : 1e-06
Axis value 17 : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : -2.38129743865500
Difference : 2.381297438655
Tolerance : 0.0001
Plane pos 10 Y : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : -1.05835441718000
Difference : 1.05835441718
Tolerance : 0.0001
Plane pos 10 Z : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : -2.11670883436000
Difference : 2.11670883436
Tolerance : 0.0001
Plane pos 30 Y : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : 1.05835441718000
Difference : 1.05835441718
Tolerance : 0.0001
Plane pos 30 Z : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : 1.58753162577000
Difference : 1.58753162577
Tolerance : 0.0001
Plane pos 295 Y : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : 2.64588604295000E-001
Difference : 0.264588604295
Tolerance : 0.0001
Plane pos 295 Z : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : 2.23480652558410E-005
Difference : 2.2348065255841e-05
Tolerance : 1e-09
Plane value 10 : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : 1.89763461646455E-004
Difference : 0.000189763461646455
Tolerance : 1e-09
Plane value 30 : [ FAIL ]
cat: static/density-sp1.x=0: No such file or directory
Match Failed
Calculated value :
Reference value : 6.06672515372129E-003
Difference : 0.00606672515372129
Tolerance : 1e-09
Plane value 295 : [ FAIL ]
cat: static/geometry.xsf: No such file or directory
XCrySDen geometry: [ FAIL ]
cat: static/wf-k001-st0001-sp1.xsf: No such file or directory
Match Failed
Calculated value :
Reference value : 2.645886
Difference : 2.645886
Tolerance : 1e-09
XCrySDen wf 1 : [ FAIL ]
cat: static/wf-k001-st0001-sp1.xsf: No such file or directory
Match Failed
Calculated value :
Reference value : 5.291772
Difference : 5.291772
Tolerance : 1e-09
XCrySDen wf 2 : [ FAIL ]
cat: static/wf-k001-st0001-sp1.xsf: No such file or directory
Match Failed
Calculated value :
Reference value : 0.010543843731284
Difference : 0.010543843731284
Tolerance : 1e-06
XCrySDen wf 3 : [ FAIL ]
cat: static/wf-k001-st0001-sp1.xsf: No such file or directory
Match Failed
Calculated value :
Reference value : 0.007238401100039
Difference : 0.007238401100039
Tolerance : 1e-06
XCrySDen wf 4 : [ FAIL ]
***** Restart *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.ipi1LZ
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/06-restart.test
Using input file : ./finite_systems_3d/06-restart.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ipi1LZ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
Using input file : ./finite_systems_3d/06-restart.02-restart_ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ipi1LZ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.014047
Difference : 0.014047
Tolerance : 0.0001
Eigenvalue [up] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.085321
Difference : 0.085321
Tolerance : 0.0001
Eigenvalue [dn] : [ FAIL ]
Using input file : ./finite_systems_3d/06-restart.03-td_calc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ipi1LZ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 3.500000000000e-01
Difference : 0.35
Tolerance : 0.0001
TD start : [ FAIL ]
cat: td.general/multipoles: No such file or directory
charge [up] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 9.999999999991e-01
Difference : 0.9999999999991
Tolerance : 0.0001
charge [dn] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -3.495466780114e-03
Difference : 0.003495466780114
Tolerance : 0.0001
<x> [dn] : [ FAIL ]
Using input file : ./finite_systems_3d/06-restart.04-restart_td_calc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ipi1LZ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 7.000000000000e-01
Difference : 0.7
Tolerance : 0.0001
TD start : [ FAIL ]
cat: td.general/multipoles: No such file or directory
charge [up] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 9.999999999983e-01
Difference : 0.9999999999983
Tolerance : 0.0001
charge [dn] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -6.969717724775e-03
Difference : 0.006969717724775
Tolerance : 0.0001
<x> [dn] : [ FAIL ]
***** Spin-orbit coupling *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.sQ4gxd
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/07-spin_orbit_coupling.test
Using input file : ./finite_systems_3d/07-spin_orbit_coupling.01-hgh.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.sQ4gxd; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -28.092425
Difference : 28.092425
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -27.151179
Difference : 27.151179
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -17.991353
Difference : 17.991353
Tolerance : 0.0001
Eigenvalue 5 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -16.402183
Difference : 16.402183
Tolerance : 0.0001
Eigenvalue 7 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -15.289215
Difference : 15.289215
Tolerance : 0.0001
Eigenvalue 9 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -15.287638
Difference : 15.287638
Tolerance : 0.0001
Eigenvalue 11 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -14.456506
Difference : 14.456506
Tolerance : 0.0001
Eigenvalue 13 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -14.348252
Difference : 14.348252
Tolerance : 0.0001
Eigenvalue 15 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.5000
Difference : 0.5
Tolerance : 0.001
<Sz> 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.5000
Difference : 0.5
Tolerance : 0.001
<Sz> 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.4760
Difference : 0.476
Tolerance : 0.001
<Sz> 5 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.1436
Difference : 0.1436
Tolerance : 0.001
<Sz> 7 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.0803
Difference : 0.0803
Tolerance : 0.001
<Sz> 9 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.1350
Difference : 0.135
Tolerance : 0.001
<Sz> 11 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.1109
Difference : 0.1109
Tolerance : 0.001
<Sz> 13 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.4363
Difference : 0.4363
Tolerance : 0.001
<Sz> 15 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 2.547272
Difference : 2.547272
Tolerance : 0.001
Force : [ FAIL ]
Using input file : ./finite_systems_3d/07-spin_orbit_coupling.02-rkb.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.sQ4gxd; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -27.484172
Difference : 27.484172
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -26.531942
Difference : 26.531942
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -17.372240
Difference : 17.37224
Tolerance : 0.0001
Eigenvalue 5 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -15.896937
Difference : 15.896937
Tolerance : 0.0001
Eigenvalue 7 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -14.827941
Difference : 14.827941
Tolerance : 0.0001
Eigenvalue 9 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -14.797636
Difference : 14.797636
Tolerance : 0.0001
Eigenvalue 11 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.978083
Difference : 13.978083
Tolerance : 0.0001
Eigenvalue 13 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.706630
Difference : 13.70663
Tolerance : 0.0001
Eigenvalue 15 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.5000
Difference : 0.5
Tolerance : 0.001
<Sz> 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.5000
Difference : 0.5
Tolerance : 0.001
<Sz> 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.4749
Difference : 0.4749
Tolerance : 0.001
<Sz> 5 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.1363
Difference : 0.1363
Tolerance : 0.001
<Sz> 7 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.0870
Difference : 0.087
Tolerance : 0.001
<Sz> 9 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.1362
Difference : 0.1362
Tolerance : 0.001
<Sz> 11 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.1110
Difference : 0.111
Tolerance : 0.001
<Sz> 13 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.4503
Difference : 0.4503
Tolerance : 0.001
<Sz> 15 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 2.574651
Difference : 2.574651
Tolerance : 0.001
Force : [ FAIL ]
***** Spinors *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.bBBMGo
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/09-spinors.test
Using input file : ./finite_systems_3d/09-spinors.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.bBBMGo; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.17669588
Difference : 0.17669588
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.085321
Difference : 0.085321
Tolerance : 0.0001
Eigenvalue : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.1928
Difference : 0.1928
Tolerance : 0.0001
<Sx> : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.1928
Difference : 0.1928
Tolerance : 0.0001
<Sy> : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.4191
Difference : 0.4191
Tolerance : 0.0001
<Sz> : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.385559
Difference : 0.385559
Tolerance : 0.0001
mx : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.385559
Difference : 0.385559
Tolerance : 0.0001
my : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.838265
Difference : 0.838265
Tolerance : 0.0001
mz : [ FAIL ]
***** Forces *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.W5BBzu
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/12-forces.test
Using input file : ./finite_systems_3d/12-forces.01-N2_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.W5BBzu; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -19.83069427
Difference : 19.83069427
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.318750
Difference : 0.31875
Tolerance : 0.0001
Force : [ FAIL ]
Using input file : ./finite_systems_3d/12-forces.02-N2_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.W5BBzu; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -19.99536317
Difference : 19.99536317
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.037895
Difference : 0.037895
Tolerance : 0.0001
Force : [ FAIL ]
Using input file : ./finite_systems_3d/12-forces.03-N2_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.W5BBzu; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -19.49489909
Difference : 19.49489909
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -2.630955
Difference : 2.630955
Tolerance : 0.0001
Force : [ FAIL ]
***** Full-Potential Hydrogen *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.uZuJ3r
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/13-full_potential_hydrogen.test
Using input file : ./finite_systems_3d/13-full_potential_hydrogen.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.uZuJ3r; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.49797178
Difference : 0.49797178
Tolerance : 0.0001
Total energy : [ FAIL ]
Using input file : ./finite_systems_3d/13-full_potential_hydrogen.02-gs-cg.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.uZuJ3r; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.50144038
Difference : 0.50144038
Tolerance : 0.0001
Total energy : [ FAIL ]
***** Hartree *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.DPJNAp
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi
Using test file : ./finite_systems_3d/15-hartree.test
Using input file : ./finite_systems_3d/15-hartree.01-isf.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.DPJNAp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Test run failed with exit code 65280
cat: hartree_results: No such file or directory
cat: hartree_results: No such file or directory
ISF : [ FAIL ]
Using input file : ./finite_systems_3d/15-hartree.02-multigrid.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.DPJNAp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Test run failed with exit code 65280
cat: hartree_results: No such file or directory
cat: hartree_results: No such file or directory
Multigrid : [ FAIL ]
Using input file : ./finite_systems_3d/15-hartree.03-fft.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.DPJNAp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Test run failed with exit code 65280
cat: hartree_results: No such file or directory
cat: hartree_results: No such file or directory
FFT : [ FAIL ]
Using input file : ./finite_systems_3d/15-hartree.04-fft_corrected.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.DPJNAp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Test run failed with exit code 65280
cat: hartree_results: No such file or directory
cat: hartree_results: No such file or directory
FFT Corrected : [ FAIL ]
Using input file : ./finite_systems_3d/15-hartree.05-cg_corrected.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.DPJNAp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Test run failed with exit code 65280
cat: hartree_results: No such file or directory
cat: hartree_results: No such file or directory
CG Corrected : [ FAIL ]
***** Eigensolver *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.mKAITW
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/20-eigensolver.test
Using input file : ./finite_systems_3d/20-eigensolver.01-lobpcg.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.mKAITW; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.449024
Difference : 13.449024
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455376
Difference : 8.455376
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455376
Difference : 8.455376
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.419341
Difference : 8.419341
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
Using input file : ./finite_systems_3d/20-eigensolver.02-cg.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.mKAITW; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.449028
Difference : 13.449028
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455385
Difference : 8.455385
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455385
Difference : 8.455385
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.419351
Difference : 8.419351
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
Using input file : ./finite_systems_3d/20-eigensolver.03-cg_new.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.mKAITW; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.449038
Difference : 13.449038
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455388
Difference : 8.455388
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455388
Difference : 8.455388
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.419354
Difference : 8.419354
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
Using input file : ./finite_systems_3d/20-eigensolver.04-plan.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.mKAITW; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.449048
Difference : 13.449048
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455424
Difference : 8.455424
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455419
Difference : 8.455419
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.419384
Difference : 8.419384
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
Using input file : ./finite_systems_3d/20-eigensolver.05-evolution.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.mKAITW; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.662216
Difference : 13.662216
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.729765
Difference : 8.729765
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.729765
Difference : 8.729765
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.693304
Difference : 8.693304
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
Using input file : ./finite_systems_3d/20-eigensolver.06-rmmdiis.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.mKAITW; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -13.449206
Difference : 13.449206
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455540
Difference : 8.45554
Tolerance : 0.0001
Eigenvalue 2 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.455540
Difference : 8.45554
Tolerance : 0.0001
Eigenvalue 3 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -8.419499
Difference : 8.419499
Tolerance : 0.0001
Eigenvalue 4 : [ FAIL ]
***** LOBPCG (parallel) *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.sI6yFh
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/21-lobpcg.test
Using input file : ./finite_systems_3d/21-lobpcg.01-spin_polarized.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.sI6yFh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -14.461727
Difference : 14.461727
Tolerance : 0.0001
Eigenvalue 1 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -11.750136
Difference : 11.750136
Tolerance : 0.0001
Eigenvalue 1 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -6.187145
Difference : 6.187145
Tolerance : 0.0001
Eigenvalue 2 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -3.682145
Difference : 3.682145
Tolerance : 0.0001
Eigenvalue 2 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -6.187145
Difference : 6.187145
Tolerance : 0.0001
Eigenvalue 3 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -3.682145
Difference : 3.682145
Tolerance : 0.0001
Eigenvalue 3 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -6.187145
Difference : 6.187145
Tolerance : 0.0001
Eigenvalue 4 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
could not find input file: ./finite_systems_3d/21-lobpcg.02-spinors.inp
Match Failed
Calculated value :
Reference value : -3.682145
Difference : 3.682145
Tolerance : 0.0001
Eigenvalue 4 dn: [ FAIL ]
***** Geometry optimization *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.AbGXZG
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/23-go-na2.test
Using input file : ./finite_systems_3d/23-go-na2.01-steep.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.AbGXZG; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.41784564
Difference : 0.41784564
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.000732
Difference : 0.000732
Tolerance : 0.0001
Force [1] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.000732
Difference : 0.000732
Tolerance : 0.0001
Force [2] : [ FAIL ]
cat: min.xyz: No such file or directory
Match Failed
Calculated value :
Reference value : -2.738370
Difference : 2.73837
Tolerance : 0.0001
Geometry [1] : [ FAIL ]
cat: min.xyz: No such file or directory
Match Failed
Calculated value :
Reference value : 2.738370
Difference : 2.73837
Tolerance : 0.0001
Geometry [1] : [ FAIL ]
***** O2 - Spin *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.oQ1cUh
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/24-o2-spin.test
Using input file : ./finite_systems_3d/24-o2-spin.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.oQ1cUh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -31.40980858
Difference : 31.40980858
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -1.240901
Difference : 1.240901
Tolerance : 0.0001
Eigenvalue 1 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -1.194074
Difference : 1.194074
Tolerance : 0.0001
Eigenvalue 1 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.790372
Difference : 0.790372
Tolerance : 0.0001
Eigenvalue 2 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.727767
Difference : 0.727767
Tolerance : 0.0001
Eigenvalue 2 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.520789
Difference : 0.520789
Tolerance : 0.0001
Eigenvalue 3 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.486577
Difference : 0.486577
Tolerance : 0.0001
Eigenvalue 3 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.491824
Difference : 0.491824
Tolerance : 0.0001
Eigenvalue 4 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.426660
Difference : 0.42666
Tolerance : 0.0001
Eigenvalue 4 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.491824
Difference : 0.491824
Tolerance : 0.0001
Eigenvalue 5 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.426660
Difference : 0.42666
Tolerance : 0.0001
Eigenvalue 5 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.231622
Difference : 0.231622
Tolerance : 0.0001
Eigenvalue 6 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.152778
Difference : 0.152778
Tolerance : 0.0001
Eigenvalue 6 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.231622
Difference : 0.231622
Tolerance : 0.0001
Eigenvalue 7 up: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.152778
Difference : 0.152778
Tolerance : 0.0001
Eigenvalue 7 dn: [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.094124
Difference : 0.094124
Tolerance : 0.0001
Force : [ FAIL ]
***** Linear-Response Polarizabilities *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.TfllzQ
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./linear_response/02-h2o_pol_lr.test
Using input file : ./linear_response/02-h2o_pol_lr.01_h2o_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.TfllzQ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -16.06685186
Difference : 16.06685186
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -1.167612
Difference : 1.167612
Tolerance : 0.0001
Eigenvalues : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 3.65917E-01
Difference : 0.365917
Tolerance : 0.0001
Dipole : [ FAIL ]
Using input file : ./linear_response/02-h2o_pol_lr.02_h2o_dyn_pol.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.TfllzQ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 15.248041
Difference : 15.248041
Tolerance : 0.0001
Polarizability XX w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 12.333210
Difference : 12.33321
Tolerance : 0.0001
Polarizability YY w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 23.149122
Difference : 23.149122
Tolerance : 0.0001
Polarizability ZZ w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 15.943344
Difference : 15.943344
Tolerance : 0.0001
Polarizability XX w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 12.856808
Difference : 12.856808
Tolerance : 0.0001
Polarizability YY w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 29.766976
Difference : 29.766976
Tolerance : 0.0001
Polarizability ZZ w=0.1 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.151322
Difference : 0.151322
Tolerance : 0.0001
Born charge O XX w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.349310
Difference : 0.34931
Tolerance : 0.0001
Born charge O YY w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.032368
Difference : 0.032368
Tolerance : 0.0001
Born charge O ZZ w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.196726
Difference : 0.196726
Tolerance : 0.0001
Born charge O XX w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.408311
Difference : 0.408311
Tolerance : 0.0001
Born charge O YY w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : 0.145284
Difference : 0.145284
Tolerance : 0.0001
Born charge O ZZ w=0.1 : [ FAIL ]
Using input file : ./linear_response/02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.TfllzQ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 15.241500
Difference : 15.2415
Tolerance : 0.001
Polarizability XX w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 12.328310
Difference : 12.32831
Tolerance : 0.001
Polarizability YY w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 23.105771
Difference : 23.105771
Tolerance : 0.001
Polarizability ZZ w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 15.933969
Difference : 15.933969
Tolerance : 0.001
Polarizability XX w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 12.849790
Difference : 12.84979
Tolerance : 0.001
Polarizability YY w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 29.441098
Difference : 29.441098
Tolerance : 0.001
Polarizability ZZ w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/cross_section: No such file or directory
Match Failed
Calculated value :
Reference value : 0.68980239E-02
Difference : 0.0068980239
Tolerance : 0.001
Cross sect. (avg) w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/cross_section: No such file or directory
Match Failed
Calculated value :
Reference value : 0.13986866E-01
Difference : 0.013986866
Tolerance : 0.001
Cross sect. (ani) w=0.1 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.150899
Difference : 0.150899
Tolerance : 0.001
Born charge O XX w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.348757
Difference : 0.348757
Tolerance : 0.001
Born charge O YY w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.033190
Difference : 0.03319
Tolerance : 0.001
Born charge O ZZ w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.196159
Difference : 0.196159
Tolerance : 0.001
Born charge O XX w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.407578
Difference : 0.407578
Tolerance : 0.001
Born charge O YY w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : 0.132121
Difference : 0.132121
Tolerance : 0.001
Born charge O ZZ w=0.1 : [ FAIL ]
cat: em_resp/freq_-0.2000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.366367
Difference : 0.366367
Tolerance : 0.001
Born charge O XX w=0.1 : [ FAIL ]
cat: em_resp/freq_-0.2000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.625975
Difference : 0.625975
Tolerance : 0.001
Born charge O YY w=0.1 : [ FAIL ]
cat: em_resp/freq_-0.2000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -1.699907
Difference : 1.699907
Tolerance : 0.001
Born charge O ZZ w=0.1 : [ FAIL ]
cat: em_resp/freq_0.0000/beta: No such file or directory
cat: em_resp/freq_0.0000/beta: No such file or directory
Match Failed
Calculated value :
Reference value : -0.23080418E+02
Difference : 23.080418
Tolerance : 0.02
Hyperpolarizability w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/beta: No such file or directory
cat: em_resp/freq_0.1000/beta: No such file or directory
Match Failed
Calculated value :
Reference value : 0.86884588E+02
Difference : 86.884588
Tolerance : 0.02
Hyperpolarizability w=0.1 : [ FAIL ]
Using input file : ./linear_response/02-h2o_pol_lr.04_h2o_susc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.TfllzQ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: em_resp/freq_0.0000/susceptibility: No such file or directory
Match Failed
Calculated value :
Reference value : 30.003216
Difference : 30.003216
Tolerance : 0.001
Paramagnetic susceptibility : [ FAIL ]
cat: em_resp/freq_0.0000/susceptibility: No such file or directory
Match Failed
Calculated value :
Reference value : -215.363250
Difference : 215.36325
Tolerance : 0.001
Diamagnetic susceptibility : [ FAIL ]
cat: em_resp/freq_0.0000/susceptibility: No such file or directory
Match Failed
Calculated value :
Reference value : -185.360035
Difference : 185.360035
Tolerance : 0.001
Total susceptibility : [ FAIL ]
***** Open boundaries 1D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.XyVbSy
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/01-wavepacket.test
Using input file : ./open_systems/01-wavepacket.01-deriv_order_1.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.XyVbSy; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 3.981621426799e+00
Difference : 3.981621426799
Tolerance : 0.0001
Density [step 0] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 3.956585208823e+00
Difference : 3.956585208823
Tolerance : 0.0001
Density [step 100] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 2.463948468287e+00
Difference : 2.463948468287
Tolerance : 0.0001
Density [step 200] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 9.781748917889e-01
Difference : 0.9781748917889
Tolerance : 0.0001
Density [step 300] : [ FAIL ]
Using input file : ./open_systems/01-wavepacket.02-deriv_order_4.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.XyVbSy; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 3.981621426799e+00
Difference : 3.981621426799
Tolerance : 0.0001
Density [step 0] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 3.955793145235e+00
Difference : 3.955793145235
Tolerance : 0.0001
Density [step 100] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 2.456516723961e+00
Difference : 2.456516723961
Tolerance : 0.0001
Density [step 200] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 9.759575728441e-01
Difference : 0.9759575728441
Tolerance : 0.0001
Density [step 300] : [ FAIL ]
***** Open boundaries 2D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.ttzLxD
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/02-wavepacket_2d.test
Using input file : ./open_systems/02-wavepacket_2d.01-full_q.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ttzLxD; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 3.544907657591e+00
Difference : 3.544907657591
Tolerance : 0.0001
Density [step 0] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 2.375236903793e+00
Difference : 2.375236903793
Tolerance : 0.0001
Density [step 25] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 5.843516694437e-01
Difference : 0.5843516694437
Tolerance : 0.0001
Density [step 50] : [ FAIL ]
cat: flat_td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 2.473085946820e-01
Difference : 0.247308594682
Tolerance : 0.0001
Density [step 75] : [ FAIL ]
***** Extended eigenstates for open systems *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.WxXt6A
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/03-extended_eigenstate.test
Using input file : ./open_systems/03-extended_eigenstate.01-square_well_1d.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.WxXt6A; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: well_static/info: No such file or directory
cat: well_static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 5.7224
Difference : 5.7224
Tolerance : 0.0001
Total energy : [ FAIL ]
Using input file : ./open_systems/03-extended_eigenstate.02-ring_leads_2d.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.WxXt6A; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: ring_lead_static/info: No such file or directory
cat: ring_lead_static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 81.6571
Difference : 81.6571
Tolerance : 0.0001
Total energy : [ FAIL ]
***** Propagate eigenstate of 1D square well *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.fb1zuO
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/04-propagate_eigenstate.test
cat: /sfs/home/cesga/mpan/tmp/octopus.fb1zuO/out: No such file or directory
***** Asymmetric Double Well *****
No valid executable found for ./optimal_control/01-asym_doublewell.test
Skipping ...
***** Free Electron Bands in 1D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.NBCua9
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/01-free_electrons.test
Using input file : ./periodic_systems/01-free_electrons.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.NBCua9; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Bands n=1,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.000493
Difference : 0.000493
Tolerance : 0.0001
Bands n=1,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.001974
Difference : 0.001974
Tolerance : 0.0001
Bands n=1,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.004441
Difference : 0.004441
Tolerance : 0.0001
Bands n=1,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.007896
Difference : 0.007896
Tolerance : 0.0001
Bands n=1,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.012337
Difference : 0.012337
Tolerance : 0.0001
Bands n=1,k=6: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.049348
Difference : 0.049348
Tolerance : 0.0001
Bands n=2,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.039972
Difference : 0.039972
Tolerance : 0.0001
Bands n=2,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.031583
Difference : 0.031583
Tolerance : 0.0001
Bands n=2,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.024181
Difference : 0.024181
Tolerance : 0.0001
Bands n=2,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.017765
Difference : 0.017765
Tolerance : 0.0001
Bands n=2,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : 0.012337
Difference : 0.012337
Tolerance : 0.0001
Bands n=2,k=6: [ FAIL ]
***** Cosine Potential in 1D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.24uvSI
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/02-cosine_potential.test
Using input file : ./periodic_systems/02-cosine_potential.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.24uvSI; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.133002
Difference : 0.133002
Tolerance : 0.0001
Bands n=1,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.133000
Difference : 0.133
Tolerance : 0.0001
Bands n=1,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.132996
Difference : 0.132996
Tolerance : 0.0001
Bands n=1,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.132992
Difference : 0.132992
Tolerance : 0.0001
Bands n=1,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.132988
Difference : 0.132988
Tolerance : 0.0001
Bands n=1,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.132986
Difference : 0.132986
Tolerance : 0.0001
Bands n=1,k=6: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.006033
Difference : 0.006033
Tolerance : 0.0001
Bands n=2,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.006086
Difference : 0.006086
Tolerance : 0.0001
Bands n=2,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.006223
Difference : 0.006223
Tolerance : 0.0001
Bands n=2,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.006391
Difference : 0.006391
Tolerance : 0.0001
Bands n=2,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.006526
Difference : 0.006526
Tolerance : 0.0001
Bands n=2,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.006577
Difference : 0.006577
Tolerance : 0.0001
Bands n=2,k=6: [ FAIL ]
***** Sodium chain *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.zd5kYK
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/03-sodium_chain.test
Using input file : ./periodic_systems/03-sodium_chain.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.zd5kYK; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -3.648593
Difference : 3.648593
Tolerance : 0.0001
Bands n=1,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -3.552608
Difference : 3.552608
Tolerance : 0.0001
Bands n=1,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -3.265539
Difference : 3.265539
Tolerance : 0.0001
Bands n=1,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -2.790094
Difference : 2.790094
Tolerance : 0.0001
Bands n=1,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -2.131387
Difference : 2.131387
Tolerance : 0.0001
Bands n=1,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.368580
Difference : 1.36858
Tolerance : 0.0001
Bands n=1,k=6: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.236907
Difference : 1.236907
Tolerance : 0.0001
Bands n=2,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.145361
Difference : 1.145361
Tolerance : 0.0001
Bands n=2,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.870845
Difference : 0.870845
Tolerance : 0.0001
Bands n=2,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.413978
Difference : 0.413978
Tolerance : 0.0001
Bands n=2,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.281613
Difference : 0.281613
Tolerance : 0.0001
Bands n=2,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.210874
Difference : 1.210874
Tolerance : 0.0001
Bands n=2,k=6: [ FAIL ]
Using input file : ./periodic_systems/03-sodium_chain.02-ground_state_disp.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.zd5kYK; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -3.648589
Difference : 3.648589
Tolerance : 0.0001
Bands n=1,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -3.552604
Difference : 3.552604
Tolerance : 0.0001
Bands n=1,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -3.265535
Difference : 3.265535
Tolerance : 0.0001
Bands n=1,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -2.790090
Difference : 2.79009
Tolerance : 0.0001
Bands n=1,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -2.131382
Difference : 2.131382
Tolerance : 0.0001
Bands n=1,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.368568
Difference : 1.368568
Tolerance : 0.0001
Bands n=1,k=6: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.236903
Difference : 1.236903
Tolerance : 0.0001
Bands n=2,k=1: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.145357
Difference : 1.145357
Tolerance : 0.0001
Bands n=2,k=2: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.870841
Difference : 0.870841
Tolerance : 0.0001
Bands n=2,k=3: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.413974
Difference : 0.413974
Tolerance : 0.0001
Bands n=2,k=4: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -0.281608
Difference : 0.281608
Tolerance : 0.0001
Bands n=2,k=5: [ FAIL ]
cat: unocc_static/eigenvalues: No such file or directory
cat: unocc_static/eigenvalues: No such file or directory
Match Failed
Calculated value :
Reference value : -1.210870
Difference : 1.21087
Tolerance : 0.0001
Bands n=2,k=6: [ FAIL ]
***** Silicon crystal *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.OBoa5p
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/04-silicon.test
Using input file : ./periodic_systems/04-silicon.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.OBoa5p; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.077000
Difference : 0.077
Tolerance : 0.0001
k-point 1 (x) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.077000
Difference : 0.077
Tolerance : 0.0001
k-point 1 (y) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.077000
Difference : 0.077
Tolerance : 0.0001
k-point 1 (z) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.280421
Difference : 0.280421
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.022250
Difference : 0.02225
Tolerance : 0.0001
Eigenvalue 8 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.139512
Difference : 0.139512
Tolerance : 0.0001
Eigenvalue 16 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.172640
Difference : 0.17264
Tolerance : 0.0001
Eigenvalue 17 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.077000
Difference : 0.077
Tolerance : 0.0001
k-point 2 (x) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.077000
Difference : 0.077
Tolerance : 0.0001
k-point 2 (y) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.384999
Difference : 0.384999
Tolerance : 0.0001
k-point 2 (z) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.260466
Difference : 0.260466
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.001332
Difference : 0.001332
Tolerance : 0.0001
Eigenvalue 8 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.104710
Difference : 0.10471
Tolerance : 0.0001
Eigenvalue 16 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.192124
Difference : 0.192124
Tolerance : 0.0001
Eigenvalue 17 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.077000
Difference : 0.077
Tolerance : 0.0001
k-point 3 (x) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.384999
Difference : 0.384999
Tolerance : 0.0001
k-point 3 (y) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.384999
Difference : 0.384999
Tolerance : 0.0001
k-point 3 (z) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.241550
Difference : 0.24155
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.017705
Difference : 0.017705
Tolerance : 0.0001
Eigenvalue 8 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.120734
Difference : 0.120734
Tolerance : 0.0001
Eigenvalue 16 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.206635
Difference : 0.206635
Tolerance : 0.0001
Eigenvalue 17 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.384999
Difference : 0.384999
Tolerance : 0.0001
k-point 4 (x) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.384999
Difference : 0.384999
Tolerance : 0.0001
k-point 4 (y) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.384999
Difference : 0.384999
Tolerance : 0.0001
k-point 4 (z) : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.224975
Difference : 0.224975
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.067070
Difference : 0.06707
Tolerance : 0.0001
Eigenvalue 8 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.110018
Difference : 0.110018
Tolerance : 0.0001
Eigenvalue 16 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.214329
Difference : 0.214329
Tolerance : 0.0001
Eigenvalue 17 : [ FAIL ]
***** Lithium *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.GRfAVs
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/05-lithium.test
Using input file : ./periodic_systems/05-lithium.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GRfAVs; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.007876
Difference : 0.007876
Tolerance : 0.0001
Eigenvalue [ k = 1 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.035409
Difference : 0.035409
Tolerance : 0.0001
Eigenvalue [ k = 2 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.035409
Difference : 0.035409
Tolerance : 0.0001
Eigenvalue [ k = 3 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.035409
Difference : 0.035409
Tolerance : 0.0001
Eigenvalue [ k = 5 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.035409
Difference : 0.035409
Tolerance : 0.0001
Eigenvalue [ k = 17 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.118409
Difference : 0.118409
Tolerance : 0.0001
Eigenvalue [ k = 23 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.035409
Difference : 0.035409
Tolerance : 0.0001
Eigenvalue [ k = 32 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.075798
Difference : 0.075798
Tolerance : 0.0001
Eigenvalue [ k = 41 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.075798
Difference : 0.075798
Tolerance : 0.0001
Eigenvalue [ k = 55 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.075798
Difference : 0.075798
Tolerance : 0.0001
Eigenvalue [ k = 58 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -0.035409
Difference : 0.035409
Tolerance : 0.0001
Eigenvalue [ k = 60 ] : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 0.007876
Difference : 0.007876
Tolerance : 0.0001
Eigenvalue [ k = 64 ] : [ FAIL ]
Using input file : ./periodic_systems/05-lithium.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GRfAVs; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 1.000000000000e-01
Difference : 0.1
Tolerance : 0.0001
Vector potential [step 1] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.995786620968e-02
Difference : 0.09995786620968
Tolerance : 0.0001
Vector potential [step 5] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.983204192579e-02
Difference : 0.09983204192579
Tolerance : 0.0001
Vector potential [step 10] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.962286381526e-02
Difference : 0.09962286381526
Tolerance : 0.0001
Vector potential [step 15] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.933084624748e-02
Difference : 0.09933084624748
Tolerance : 0.0001
Vector potential [step 20] : [ FAIL ]
Using input file : ./periodic_systems/05-lithium.03-td-restart.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GRfAVs; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 35] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -0.537556
Difference : 0.537556
Tolerance : 0.0001
Energy [step 30] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.933084624748e-02
Difference : 0.09933084624748
Tolerance : 0.0001
Vector potential [step 20] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.899913251502e-02
Difference : 0.09899913251502
Tolerance : 0.0001
Vector potential [step 25] : [ FAIL ]
cat: td.general/gauge_field: No such file or directory
Match Failed
Calculated value :
Reference value : 9.867119069295e-02
Difference : 0.09867119069295
Tolerance : 0.0001
Vector potential [step 30] : [ FAIL ]
***** Water in Supercell *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.BXnXw5
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/06-h2o_pol_lr.test
Using input file : ./periodic_systems/06-h2o_pol_lr.01_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BXnXw5; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -16.24623557
Difference : 16.24623557
Tolerance : 0.0001
Total energy : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -1.136821
Difference : 1.136821
Tolerance : 0.0001
Eigenvalue 1 : [ FAIL ]
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : 5.20270E-01
Difference : 0.52027
Tolerance : 0.0001
Dipole : [ FAIL ]
Using input file : ./periodic_systems/06-h2o_pol_lr.02_kdotp.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BXnXw5; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: kdotp/kpoint_1_1: No such file or directory
Match Failed
Calculated value :
Reference value : 0.117469
Difference : 0.117469
Tolerance : 0.0001
Inverse effective mass 1 : [ FAIL ]
cat: kdotp/kpoint_1_1: No such file or directory
Match Failed
Calculated value :
Reference value : -0.034437
Difference : 0.034437
Tolerance : 0.0001
Inverse effective mass 2 : [ FAIL ]
cat: kdotp/kpoint_1_1: No such file or directory
Match Failed
Calculated value :
Reference value : -0.024209
Difference : 0.024209
Tolerance : 0.0001
Inverse effective mass 3 : [ FAIL ]
cat: kdotp/kpoint_1_1: No such file or directory
Match Failed
Calculated value :
Reference value : -0.042213
Difference : 0.042213
Tolerance : 0.0001
Inverse effective mass 4 : [ FAIL ]
Using input file : ./periodic_systems/06-h2o_pol_lr.03_emresp.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BXnXw5; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 13.979843
Difference : 13.979843
Tolerance : 0.001
Polarizability XX w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 12.653825
Difference : 12.653825
Tolerance : 0.001
Polarizability YY w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 19.686367
Difference : 19.686367
Tolerance : 0.001
Polarizability ZZ w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 14.566682
Difference : 14.566682
Tolerance : 0.001
Polarizability XX w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 13.237139
Difference : 13.237139
Tolerance : 0.001
Polarizability YY w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/alpha: No such file or directory
Match Failed
Calculated value :
Reference value : 23.806427
Difference : 23.806427
Tolerance : 0.001
Polarizability ZZ w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/cross_section: No such file or directory
Match Failed
Calculated value :
Reference value : 0.43646483E-02
Difference : 0.0043646483
Tolerance : 0.001
Cross sect. (avg) w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/cross_section: No such file or directory
Match Failed
Calculated value :
Reference value : 0.78664128E-02
Difference : 0.0078664128
Tolerance : 0.001
Cross sect. (ani) w=0.1 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.251970
Difference : 0.25197
Tolerance : 0.001
Born charge O XX w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.303019
Difference : 0.303019
Tolerance : 0.001
Born charge O YY w=0.0 : [ FAIL ]
cat: em_resp/freq_0.0000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.217846
Difference : 0.217846
Tolerance : 0.001
Born charge O ZZ w=0.0 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.298003
Difference : 0.298003
Tolerance : 0.001
Born charge O XX w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.359143
Difference : 0.359143
Tolerance : 0.001
Born charge O YY w=0.1 : [ FAIL ]
cat: em_resp/freq_0.1000/Born_charges: No such file or directory
Match Failed
Calculated value :
Reference value : -0.201974
Difference : 0.201974
Tolerance : 0.001
Born charge O ZZ w=0.1 : [ FAIL ]
***** Enforced time-reversal symmetry propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.EGLhA5
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/01-etrs.test
Using input file : ./real_time/01-etrs.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.EGLhA5; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -10.60764719
Difference : 10.60764719
Tolerance : 0.0001
Initial energy : [ FAIL ]
Using input file : ./real_time/01-etrs.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.EGLhA5; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576704208e+01
Difference : 10.58576704208
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576669093e+01
Difference : 10.58576669093
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576632730e+01
Difference : 10.5857663273
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576594325e+01
Difference : 10.58576594325
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.597895810248e-02
Difference : 0.08597895810248
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.374395965075e-02
Difference : 0.08374395965075
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.293665061188e-02
Difference : 0.08293665061188
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.265176679268e-02
Difference : 0.08265176679268
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.273281299394e-02
Difference : 0.08273281299394
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
Using input file : ./real_time/01-etrs.03-td_lanczos.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.EGLhA5; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576704249e+01
Difference : 10.58576704249
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576669175e+01
Difference : 10.58576669175
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576632852e+01
Difference : 10.58576632852
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576594490e+01
Difference : 10.5857659449
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.597895810248e-02
Difference : 0.08597895810248
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.374393655807e-02
Difference : 0.08374393655807
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.293670223027e-02
Difference : 0.08293670223027
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.265179533331e-02
Difference : 0.08265179533331
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.273281492927e-02
Difference : 0.08273281492927
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
***** Approximated enforced time-reversal symmetry propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.bK54eh
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/02-aetrs.test
Using input file : ./real_time/02-aetrs.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.bK54eh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -10.60764719
Difference : 10.60764719
Tolerance : 0.0001
Initial energy : [ FAIL ]
Using input file : ./real_time/02-aetrs.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.bK54eh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576704208e+01
Difference : 10.58576704208
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576669093e+01
Difference : 10.58576669093
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576632730e+01
Difference : 10.5857663273
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576594325e+01
Difference : 10.58576594325
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.597895810248e-02
Difference : 0.08597895810248
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.374395965075e-02
Difference : 0.08374395965075
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.293665061188e-02
Difference : 0.08293665061188
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.265176679268e-02
Difference : 0.08265176679268
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.273281299394e-02
Difference : 0.08273281299394
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
Using input file : ./real_time/02-aetrs.03-td_lanczos.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.bK54eh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576704249e+01
Difference : 10.58576704249
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576669175e+01
Difference : 10.58576669175
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576632852e+01
Difference : 10.58576632852
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576594490e+01
Difference : 10.5857659449
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.597895810248e-02
Difference : 0.08597895810248
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.374393655807e-02
Difference : 0.08374393655807
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.293670223027e-02
Difference : 0.08293670223027
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.265179533331e-02
Difference : 0.08265179533331
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.273281492927e-02
Difference : 0.08273281492927
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
Using input file : ./real_time/02-aetrs.04-kick.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.bK54eh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.043083054862e+01
Difference : 10.43083054862
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.043081230069e+01
Difference : 10.43081230069
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.043080217628e+01
Difference : 10.43080217628
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.043079875401e+01
Difference : 10.43079875401
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Dipole [step 1] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -7.284562123320e-01
Difference : 0.728456212332
Tolerance : 0.0001
Dipole [step 5] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -1.337387978674e+00
Difference : 1.337387978674
Tolerance : 0.0001
Dipole [step 10] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -1.831249400498e+00
Difference : 1.831249400498
Tolerance : 0.0001
Dipole [step 15] : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -2.212040451994e+00
Difference : 2.212040451994
Tolerance : 0.0001
Dipole [step 20] : [ FAIL ]
***** Exponential midpoint-rule propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.AxwZG7
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/03-exp_mid.test
Using input file : ./real_time/03-exp_mid.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.AxwZG7; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -10.60764719
Difference : 10.60764719
Tolerance : 0.0001
Initial energy : [ FAIL ]
Using input file : ./real_time/03-exp_mid.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.AxwZG7; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576704249e+01
Difference : 10.58576704249
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576669175e+01
Difference : 10.58576669175
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576632852e+01
Difference : 10.58576632852
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576594490e+01
Difference : 10.5857659449
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.597895810248e-02
Difference : 0.08597895810248
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.374393655807e-02
Difference : 0.08374393655807
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.293670223027e-02
Difference : 0.08293670223027
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.265179533331e-02
Difference : 0.08265179533331
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.273281492927e-02
Difference : 0.08273281492927
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
***** Enforced time-reversal symmetry propagator - single precision *****
No valid executable found for ./real_time/04-etrs_single.test
Skipping ...
***** Car-Parrinello Molecular Dynamics *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.rUdIWt
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/05-cpmd.test
Using input file : ./real_time/05-cpmd.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.rUdIWt; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -10.60616403
Difference : 10.60616403
Tolerance : 0.0001
Initial energy : [ FAIL ]
Using input file : ./real_time/05-cpmd.02-verlet.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.rUdIWt; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058426876241e+01
Difference : 10.58426876241
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058426017289e+01
Difference : 10.58426017289
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058424832055e+01
Difference : 10.58424832055
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058424832055e+01
Difference : 10.58424832055
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058423825344e+01
Difference : 10.58423825344
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.326834967293e-01
Difference : 0.1326834967293
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.366498354040e-01
Difference : 0.136649835404
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.357621712454e-01
Difference : 0.1357621712454
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.378878597553e-01
Difference : 0.1378878597553
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.409192120424e-01
Difference : 0.1409192120424
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
Using input file : ./real_time/05-cpmd.03-vel_verlet.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.rUdIWt; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058427604716e+01
Difference : 10.58427604716
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058426876272e+01
Difference : 10.58426876272
Tolerance : 0.0001
Energy [step 5] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058426017405e+01
Difference : 10.58426017405
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058424832088e+01
Difference : 10.58424832088
Tolerance : 0.0001
Energy [step 15] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058423825365e+01
Difference : 10.58423825365
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.326834967293e-01
Difference : 0.1326834967293
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.366505264037e-01
Difference : 0.1366505264037
Tolerance : 0.0001
Forces [step 5] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.357619252783e-01
Difference : 0.1357619252783
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.378875970111e-01
Difference : 0.1378875970111
Tolerance : 0.0001
Forces [step 15] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : -1.409193337241e-01
Difference : 0.1409193337241
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
***** Visscher propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.zpaJrZ
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/07-visscher.test
Using input file : ./real_time/07-visscher.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.zpaJrZ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: static/info: No such file or directory
cat: static/info: No such file or directory
Match Failed
Calculated value :
Reference value : -10.60764719
Difference : 10.60764719
Tolerance : 0.0001
Initial energy : [ FAIL ]
Using input file : ./real_time/07-visscher.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.zpaJrZ; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058576638440e+01
Difference : 10.5857663844
Tolerance : 0.0001
Energy [step 1] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058574738550e+01
Difference : 10.5857473855
Tolerance : 0.0001
Energy [step 10] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058562934420e+01
Difference : 10.5856293442
Tolerance : 0.0001
Energy [step 20] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058548673436e+01
Difference : 10.58548673436
Tolerance : 0.0001
Energy [step 30] : [ FAIL ]
cat: td.general/energy: No such file or directory
Match Failed
Calculated value :
Reference value : -1.058540305369e+01
Difference : 10.58540305369
Tolerance : 0.0001
Energy [step 40] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.597895810248e-02
Difference : 0.08597895810248
Tolerance : 0.0001
Forces [step 1] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.370911801678e-02
Difference : 0.08370911801678
Tolerance : 0.0001
Forces [step 10] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.281473978320e-02
Difference : 0.0828147397832
Tolerance : 0.0001
Forces [step 20] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.246302761421e-02
Difference : 0.08246302761421
Tolerance : 0.0001
Forces [step 30] : [ FAIL ]
cat: td.general/coordinates: No such file or directory
Match Failed
Calculated value :
Reference value : 8.255115492880e-02
Difference : 0.0825511549288
Tolerance : 0.0001
Forces [step 40] : [ FAIL ]
***** Lasers *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.3rCEdy
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/08-laser.test
Using input file : ./real_time/08-laser.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.3rCEdy; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
Using input file : ./real_time/08-laser.02-length_gauge.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.3rCEdy; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 2.000000000000e-01
Difference : 0.2
Tolerance : 0.0001
n(t=0.2) : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -1.334845206979e-04
Difference : 0.0001334845206979
Tolerance : 0.0001
<Z>(t=0.2) : [ FAIL ]
Using input file : ./real_time/08-laser.03-velocity_gauge.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.3rCEdy; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpiexec -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Test run failed with exit code 65280
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : 2.000000000000e-01
Difference : 0.2
Tolerance : 0.0001
n(t=0.2) : [ FAIL ]
cat: td.general/multipoles: No such file or directory
Match Failed
Calculated value :
Reference value : -1.332345613504e-04
Difference : 0.0001332345613504
Tolerance : 0.0001
<Z>(t=0.2) : [ FAIL ]
Passed: 1 / 38
Skipped: 3 / 38
Failed: 34 / 38
testfile # failed testcases
--------------------------------------------------------------------
finite_systems_1d/01-hydrogen.test 2
finite_systems_1d/02-neon_mpi.test 2
finite_systems_1d/09-morse.test 7
finite_systems_2d/01-quadratic_box.test 7
finite_systems_2d/02-fock-darwin.test 10
finite_systems_2d/03-helium_atom.test 2
finite_systems_2d/07-hartree_fock.test 1
finite_systems_3d/05-output.test 26
finite_systems_3d/06-restart.test 10
finite_systems_3d/07-spin_orbit_coupling.test 34
finite_systems_3d/09-spinors.test 8
finite_systems_3d/12-forces.test 6
finite_systems_3d/13-full_potential_hydrogen.test 2
finite_systems_3d/15-hartree.test 5
finite_systems_3d/20-eigensolver.test 24
finite_systems_3d/21-lobpcg.test 2
finite_systems_3d/23-go-na2.test 5
finite_systems_3d/24-o2-spin.test 16
linear_response/02-h2o_pol_lr.test 37
open_systems/01-wavepacket.test 8
open_systems/02-wavepacket_2d.test 4
open_systems/03-extended_eigenstate.test 2
periodic_systems/01-free_electrons.test 12
periodic_systems/02-cosine_potential.test 12
periodic_systems/03-sodium_chain.test 24
periodic_systems/04-silicon.test 28
periodic_systems/05-lithium.test 28
periodic_systems/06-h2o_pol_lr.test 21
real_time/01-etrs.test 21
real_time/02-aetrs.test 31
real_time/03-exp_mid.test 11
real_time/05-cpmd.test 21
real_time/07-visscher.test 11
real_time/08-laser.test 4
Total run-time of the testsuite: 00:00:27
make[1]: *** [check] Error 34
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
make: *** [check-recursive] Error 1
-------------- next part --------------
TMPDIR: /scratch/1887118.1.interactive/
TEMPDIRPATH:
TEMPDIRPATH: /sfs/home/cesga/mpan/tmp
MPIEXEC:
MPIEXEC: /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun
Making check in build
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/build'
make[1]: Nothing to be done for `check'.
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/build'
Making check in external_libs
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs'
Making check in metis-4.0
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/metis-4.0'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/metis-4.0'
Making check in qshep
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/qshep'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/qshep'
Making check in poisson_isf
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/poisson_isf'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/poisson_isf'
Making check in libnbc
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/libnbc'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/libnbc'
Making check in newuoa
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/newuoa'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/newuoa'
Making check in spglib
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/spglib'
Making check in src
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/spglib/src'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/spglib/src'
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/spglib'
make[3]: Nothing to be done for `check-am'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/spglib'
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/spglib'
Making check in zoltan
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/zoltan'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/zoltan'
Making check in slatec
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/slatec'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs/slatec'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs'
make[2]: Nothing to be done for `check-am'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs'
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/external_libs'
Making check in liboct_parser
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/liboct_parser'
make[1]: Nothing to be done for `check'.
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/liboct_parser'
Making check in libxc
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc'
Making check in src
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc/src'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc/src'
Making check in testsuite
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc/testsuite'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc/testsuite'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc'
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc'
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/libxc'
Making check in src
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src'
Making check in include
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/include'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/include'
Making check in basic
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/basic'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/basic'
Making check in math
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/math'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/math'
Making check in beak
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/beak'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/beak'
Making check in species
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/species'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/species'
Making check in ions
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/ions'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/ions'
Making check in grid
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/grid'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/grid'
Making check in poisson
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/poisson'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/poisson'
Making check in states
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/states'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/states'
Making check in xc
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/xc'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/xc'
Making check in hamiltonian
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/hamiltonian'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/hamiltonian'
Making check in system
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/system'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/system'
Making check in scf
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/scf'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/scf'
Making check in td
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/td'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/td'
Making check in opt_control
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/opt_control'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/opt_control'
Making check in sternheimer
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/sternheimer'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/sternheimer'
Making check in main
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/main'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/main'
Making check in utils
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/utils'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src/utils'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src'
make[2]: Nothing to be done for `check-am'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src'
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/src'
Making check in share
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share'
Making check in PP
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP'
Making check in PSF
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP/PSF'
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP/PSF'
Making check in HGH
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP/HGH'
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP/HGH'
Making check in UPF
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP/UPF'
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP/UPF'
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP'
make[3]: Nothing to be done for `check-am'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP'
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/PP'
Making check in recipes
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes'
Making check in en
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes/en'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes/en'
Making check in es
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes/es'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes/es'
Making check in it
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes/it'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes/it'
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes'
make[3]: Nothing to be done for `check-am'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes'
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/recipes'
Making check in util
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/util'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/util'
Making check in samples
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/samples'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share/samples'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share'
../build/mk_varinfo.pl -s .. -b ..
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share'
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/share'
Making check in doc
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc'
Making check in pdf
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/pdf'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/pdf'
Making check in html
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html'
Making check in icons
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html/icons'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html/icons'
Making check in js
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html/js'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html/js'
Making check in vars
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html/vars'
../../../build/var2html.pl -b ../../..
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html/vars'
make[3]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html'
make[3]: Nothing to be done for `check-am'.
make[3]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html'
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc/html'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc'
make[2]: Nothing to be done for `check-am'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc'
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/doc'
Making check in testsuite
make[1]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
Making check in finite_systems_1d
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/finite_systems_1d'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/finite_systems_1d'
Making check in finite_systems_2d
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/finite_systems_2d'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/finite_systems_2d'
Making check in finite_systems_3d
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/finite_systems_3d'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/finite_systems_3d'
Making check in real_time
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/real_time'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/real_time'
Making check in linear_response
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/linear_response'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/linear_response'
Making check in optimal_control
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/optimal_control'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/optimal_control'
Making check in periodic_systems
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/periodic_systems'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/periodic_systems'
Making check in open_systems
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/open_systems'
make[2]: Nothing to be done for `check'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/open_systems'
make[2]: Entering directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
make[2]: Nothing to be done for `check-am'.
make[2]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
***** 1D-Hydrogen *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.gA1uef
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_1d/01-hydrogen.test
Using input file : ./finite_systems_1d/01-hydrogen.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.gA1uef; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
10th state : [ OK ]
***** 1D-Neon - MPI *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.g0UJpL
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_1d/02-neon_mpi.test
Using input file : ./finite_systems_1d/02-neon_mpi.01-ground_state-IP_par_domains.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g0UJpL; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 3 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Using input file : ./finite_systems_1d/02-neon_mpi.02-ground_state-kli_par_domains.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g0UJpL; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 3 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Using input file : ./finite_systems_1d/02-neon_mpi.03-td_calc-kli_par_states.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.g0UJpL; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 5 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
***** Morse potential *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.YwGYlp
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_1d/09-morse.test
Using input file : ./finite_systems_1d/09-morse.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.YwGYlp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Using input file : ./finite_systems_1d/09-morse.02-unocc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.YwGYlp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
'E[nu=0]' : [ OK ]
'E[nu=1]' : [ OK ]
'E[nu=2]' : [ OK ]
'E[nu=6]' : [ OK ]
Using input file : ./finite_systems_1d/09-morse.03-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.YwGYlp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
'<Psi(T)|Psi(0)> (niter)' : [ OK ]
'<Psi(T)|Psi(0)> (time)' : [ OK ]
'<Psi(T)|Psi(0)> (proj)' : [ OK ]
***** Quadratic Box *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.O0nxTc
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/01-quadratic_box.test
Using input file : ./finite_systems_2d/01-quadratic_box.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.O0nxTc; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue : [ OK ]
Occupation : [ OK ]
Using input file : ./finite_systems_2d/01-quadratic_box.02-hartree.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.O0nxTc; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Eigenvalue : [ OK ]
Occupation : [ OK ]
Using input file : ./finite_systems_2d/01-quadratic_box.03-hartree+xc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.O0nxTc; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Eigenvalue : [ OK ]
Using input file : ./finite_systems_2d/01-quadratic_box.04-spin_polarized.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.O0nxTc; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
***** Fock-Darwin spectrum *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.EDViCo
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/02-fock-darwin.test
Using input file : ./finite_systems_2d/02-fock-darwin.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.EDViCo; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
Eigenvalue 5 : [ OK ]
Eigenvalue 6 : [ OK ]
Eigenvalue 7 : [ OK ]
Eigenvalue 8 : [ OK ]
Eigenvalue 9 : [ OK ]
Eigenvalue 10 : [ OK ]
***** 1D-Helium *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.ZZ42z8
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/03-helium_atom.test
Using input file : ./finite_systems_2d/03-helium_atom.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ZZ42z8; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Using input file : ./finite_systems_2d/03-helium_atom.02-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.ZZ42z8; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
***** Hartree-Fock *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.M0ZmA1
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_2d/07-hartree_fock.test
Using input file : ./finite_systems_2d/07-hartree_fock.01-2electrons.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.M0ZmA1; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
***** Curvilinear Coordinates *****
No valid executable found for ./finite_systems_3d/02-curvilinear_coordinates.test
Skipping ...
***** Output *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.bsY0dL
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/05-output.test
Using input file : ./finite_systems_3d/05-output.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.bsY0dL; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Geometry : [ OK ]
DX Origin : [ OK ]
DX Delta : [ OK ]
DX value 1 : [ OK ]
DX value 2 : [ OK ]
Axis pos 1 : [ OK ]
Axis pos 9 : [ OK ]
Axis pos 17 : [ OK ]
Axis value 1 : [ OK ]
Axis value 9 : [ OK ]
Axis value 17 : [ OK ]
Plane pos 10 Y : [ OK ]
Plane pos 10 Z : [ OK ]
Plane pos 30 Y : [ OK ]
Plane pos 30 Z : [ OK ]
Plane pos 295 Y : [ OK ]
Plane pos 295 Z : [ OK ]
Plane value 10 : [ OK ]
Plane value 30 : [ OK ]
Plane value 295 : [ OK ]
XCrySDen geometry: [ OK ]
XCrySDen wf 1 : [ OK ]
XCrySDen wf 2 : [ OK ]
XCrySDen wf 3 : [ OK ]
XCrySDen wf 4 : [ OK ]
***** Restart *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.BBwiDz
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/06-restart.test
Using input file : ./finite_systems_3d/06-restart.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BBwiDz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Using input file : ./finite_systems_3d/06-restart.02-restart_ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BBwiDz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue [up] : [ OK ]
Eigenvalue [dn] : [ OK ]
Using input file : ./finite_systems_3d/06-restart.03-td_calc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BBwiDz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
TD start : [ OK ]
charge [up] : [ OK ]
charge [dn] : [ OK ]
<x> [dn] : [ OK ]
Using input file : ./finite_systems_3d/06-restart.04-restart_td_calc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.BBwiDz; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
TD start : [ OK ]
charge [up] : [ OK ]
charge [dn] : [ OK ]
<x> [dn] : [ OK ]
***** Spin-orbit coupling *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.KUWQFo
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/07-spin_orbit_coupling.test
Using input file : ./finite_systems_3d/07-spin_orbit_coupling.01-hgh.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.KUWQFo; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** SCF *not* converged!
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 5 : [ OK ]
Eigenvalue 7 : [ OK ]
Eigenvalue 9 : [ OK ]
Eigenvalue 11 : [ OK ]
Eigenvalue 13 : [ OK ]
Eigenvalue 15 : [ OK ]
<Sz> 1 : [ OK ]
<Sz> 3 : [ OK ]
<Sz> 5 : [ OK ]
<Sz> 7 : [ OK ]
<Sz> 9 : [ OK ]
<Sz> 11 : [ OK ]
<Sz> 13 : [ OK ]
<Sz> 15 : [ OK ]
Force : [ OK ]
Using input file : ./finite_systems_3d/07-spin_orbit_coupling.02-rkb.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.KUWQFo; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** UPF pseudopotentials support is under development.
** It might not work or produce wrong results.
** Warning:
** Eigenstate for l = 2 is not normalized
** (abs(1 - norm) = 0.006317)
** Warning:
** Eigenstate for l = 2 is not normalized
** (abs(1 - norm) = 0.006317)
** Warning:
** SCF *not* converged!
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 5 : [ OK ]
Eigenvalue 7 : [ OK ]
Eigenvalue 9 : [ OK ]
Eigenvalue 11 : [ OK ]
Eigenvalue 13 : [ OK ]
Eigenvalue 15 : [ OK ]
<Sz> 1 : [ OK ]
<Sz> 3 : [ OK ]
<Sz> 5 : [ OK ]
<Sz> 7 : [ OK ]
<Sz> 9 : [ OK ]
<Sz> 11 : [ OK ]
<Sz> 13 : [ OK ]
<Sz> 15 : [ OK ]
Force : [ OK ]
***** Spinors *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.WcSHfc
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/09-spinors.test
Using input file : ./finite_systems_3d/09-spinors.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.WcSHfc; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Eigenvalue : [ OK ]
<Sx> : [ OK ]
<Sy> : [ OK ]
<Sz> : [ OK ]
mx : [ OK ]
my : [ OK ]
mz : [ OK ]
***** Forces *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.YTlcyl
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/12-forces.test
Using input file : ./finite_systems_3d/12-forces.01-N2_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.YTlcyl; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Force : [ OK ]
Using input file : ./finite_systems_3d/12-forces.02-N2_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.YTlcyl; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Force : [ OK ]
Using input file : ./finite_systems_3d/12-forces.03-N2_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.YTlcyl; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Force : [ OK ]
***** Full-Potential Hydrogen *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.5TrL5y
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/13-full_potential_hydrogen.test
Using input file : ./finite_systems_3d/13-full_potential_hydrogen.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.5TrL5y; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Using input file : ./finite_systems_3d/13-full_potential_hydrogen.02-gs-cg.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.5TrL5y; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
***** Hartree *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.J5kJ8Z
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi
Using test file : ./finite_systems_3d/15-hartree.test
Using input file : ./finite_systems_3d/15-hartree.01-isf.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.J5kJ8Z; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Finished test run.
ISF : [ OK ]
Using input file : ./finite_systems_3d/15-hartree.02-multigrid.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.J5kJ8Z; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
** Warning:
** Multigrid Poisson solver did not converge.
** Res = 0.123348E-05
Finished test run.
Multigrid : [ OK ]
Using input file : ./finite_systems_3d/15-hartree.03-fft.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.J5kJ8Z; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Finished test run.
FFT : [ OK ]
Using input file : ./finite_systems_3d/15-hartree.04-fft_corrected.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.J5kJ8Z; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Finished test run.
FFT Corrected : [ OK ]
Using input file : ./finite_systems_3d/15-hartree.05-cg_corrected.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.J5kJ8Z; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/oct-test_mpi > out
Finished test run.
CG Corrected : [ OK ]
***** Eigensolver *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.Tya2bH
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/20-eigensolver.test
Using input file : ./finite_systems_3d/20-eigensolver.01-lobpcg.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Tya2bH; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
Using input file : ./finite_systems_3d/20-eigensolver.02-cg.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Tya2bH; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
Using input file : ./finite_systems_3d/20-eigensolver.03-cg_new.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Tya2bH; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
Using input file : ./finite_systems_3d/20-eigensolver.04-plan.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Tya2bH; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
Using input file : ./finite_systems_3d/20-eigensolver.05-evolution.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Tya2bH; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
Using input file : ./finite_systems_3d/20-eigensolver.06-rmmdiis.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Tya2bH; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** RMMDIIS eigensolver is under development.
** It might not work or produce wrong results.
Finished test run.
Eigenvalue 1 : [ OK ]
Eigenvalue 2 : [ OK ]
Eigenvalue 3 : [ OK ]
Eigenvalue 4 : [ OK ]
***** LOBPCG (parallel) *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.P40LWb
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/21-lobpcg.test
Using input file : ./finite_systems_3d/21-lobpcg.01-spin_polarized.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.P40LWb; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Eigenvalue 1 up: [ OK ]
Eigenvalue 1 dn: [ OK ]
Eigenvalue 2 up: [ OK ]
Eigenvalue 2 dn: [ OK ]
Eigenvalue 3 up: [ OK ]
Eigenvalue 3 dn: [ OK ]
Eigenvalue 4 up: [ OK ]
could not find input file: ./finite_systems_3d/21-lobpcg.02-spinors.inp
Eigenvalue 4 dn: [ OK ]
***** Geometry optimization *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.QjEzEc
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/23-go-na2.test
Using input file : ./finite_systems_3d/23-go-na2.01-steep.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.QjEzEc; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Force [1] : [ OK ]
Force [2] : [ OK ]
Geometry [1] : [ OK ]
Geometry [1] : [ OK ]
***** O2 - Spin *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.lQytiI
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./finite_systems_3d/24-o2-spin.test
Using input file : ./finite_systems_3d/24-o2-spin.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.lQytiI; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Eigenvalue 1 up: [ OK ]
Eigenvalue 1 dn: [ OK ]
Eigenvalue 2 up: [ OK ]
Eigenvalue 2 dn: [ OK ]
Eigenvalue 3 up: [ OK ]
Eigenvalue 3 dn: [ OK ]
Eigenvalue 4 up: [ OK ]
Eigenvalue 4 dn: [ OK ]
Eigenvalue 5 up: [ OK ]
Eigenvalue 5 dn: [ OK ]
Eigenvalue 6 up: [ OK ]
Eigenvalue 6 dn: [ OK ]
Eigenvalue 7 up: [ OK ]
Eigenvalue 7 dn: [ OK ]
Force : [ OK ]
***** Linear-Response Polarizabilities *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.NR5mZh
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./linear_response/02-h2o_pol_lr.test
Using input file : ./linear_response/02-h2o_pol_lr.01_h2o_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.NR5mZh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Eigenvalues : [ OK ]
Dipole : [ OK ]
Using input file : ./linear_response/02-h2o_pol_lr.02_h2o_dyn_pol.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.NR5mZh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Calculation of Born effective charges is under development.
** It might not work or produce wrong results.
Finished test run.
Polarizability XX w=0.0 : [ OK ]
Polarizability YY w=0.0 : [ OK ]
Polarizability ZZ w=0.0 : [ OK ]
Polarizability XX w=0.1 : [ OK ]
Polarizability YY w=0.1 : [ OK ]
Polarizability ZZ w=0.1 : [ OK ]
Born charge O XX w=0.0 : [ OK ]
Born charge O YY w=0.0 : [ OK ]
Born charge O ZZ w=0.0 : [ OK ]
Born charge O XX w=0.1 : [ OK ]
Born charge O YY w=0.1 : [ OK ]
Born charge O ZZ w=0.1 : [ OK ]
Using input file : ./linear_response/02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.NR5mZh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Calculation of Born effective charges is under development.
** It might not work or produce wrong results.
Finished test run.
Polarizability XX w=0.0 : [ OK ]
Polarizability YY w=0.0 : [ OK ]
Polarizability ZZ w=0.0 : [ OK ]
Polarizability XX w=0.1 : [ OK ]
Polarizability YY w=0.1 : [ OK ]
Polarizability ZZ w=0.1 : [ OK ]
Cross sect. (avg) w=0.1 : [ OK ]
Cross sect. (ani) w=0.1 : [ OK ]
Born charge O XX w=0.0 : [ OK ]
Born charge O YY w=0.0 : [ OK ]
Born charge O ZZ w=0.0 : [ OK ]
Born charge O XX w=0.1 : [ OK ]
Born charge O YY w=0.1 : [ OK ]
Born charge O ZZ w=0.1 : [ OK ]
Born charge O XX w=0.1 : [ OK ]
Born charge O YY w=0.1 : [ OK ]
Born charge O ZZ w=0.1 : [ OK ]
Hyperpolarizability w=0.0 : [ OK ]
Hyperpolarizability w=0.1 : [ OK ]
Using input file : ./linear_response/02-h2o_pol_lr.04_h2o_susc.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.NR5mZh; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Paramagnetic susceptibility : [ OK ]
Diamagnetic susceptibility : [ OK ]
Total susceptibility : [ OK ]
***** Open boundaries 1D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.aJwplB
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/01-wavepacket.test
Using input file : ./open_systems/01-wavepacket.01-deriv_order_1.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.aJwplB; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Density [step 0] : [ OK ]
Density [step 100] : [ OK ]
Density [step 200] : [ OK ]
Density [step 300] : [ OK ]
Using input file : ./open_systems/01-wavepacket.02-deriv_order_4.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.aJwplB; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Density [step 0] : [ OK ]
Density [step 100] : [ OK ]
Density [step 200] : [ OK ]
Density [step 300] : [ OK ]
***** Open boundaries 2D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.Il30Wf
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/02-wavepacket_2d.test
Using input file : ./open_systems/02-wavepacket_2d.01-full_q.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.Il30Wf; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Density [step 0] : [ OK ]
Density [step 25] : [ OK ]
Density [step 50] : [ OK ]
Density [step 75] : [ OK ]
***** Extended eigenstates for open systems *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.0hHG6D
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/03-extended_eigenstate.test
Using input file : ./open_systems/03-extended_eigenstate.01-square_well_1d.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.0hHG6D; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Total energy : [ OK ]
Using input file : ./open_systems/03-extended_eigenstate.02-ring_leads_2d.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.0hHG6D; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Open boundaries is under development.
** It might not work or produce wrong results.
Finished test run.
Total energy : [ OK ]
***** Propagate eigenstate of 1D square well *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.0xN5Tb
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./open_systems/04-propagate_eigenstate.test
cat: /sfs/home/cesga/mpan/tmp/octopus.0xN5Tb/out: No such file or directory
***** Asymmetric Double Well *****
No valid executable found for ./optimal_control/01-asym_doublewell.test
Skipping ...
***** Free Electron Bands in 1D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.rjGLPD
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/01-free_electrons.test
Using input file : ./periodic_systems/01-free_electrons.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.rjGLPD; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Bands n=1,k=1: [ OK ]
Bands n=1,k=2: [ OK ]
Bands n=1,k=3: [ OK ]
Bands n=1,k=4: [ OK ]
Bands n=1,k=5: [ OK ]
Bands n=1,k=6: [ OK ]
Bands n=2,k=1: [ OK ]
Bands n=2,k=2: [ OK ]
Bands n=2,k=3: [ OK ]
Bands n=2,k=4: [ OK ]
Bands n=2,k=5: [ OK ]
Bands n=2,k=6: [ OK ]
***** Cosine Potential in 1D *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.4MjDpC
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/02-cosine_potential.test
Using input file : ./periodic_systems/02-cosine_potential.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.4MjDpC; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Bands n=1,k=1: [ OK ]
Bands n=1,k=2: [ OK ]
Bands n=1,k=3: [ OK ]
Bands n=1,k=4: [ OK ]
Bands n=1,k=5: [ OK ]
Bands n=1,k=6: [ OK ]
Bands n=2,k=1: [ OK ]
Bands n=2,k=2: [ OK ]
Bands n=2,k=3: [ OK ]
Bands n=2,k=4: [ OK ]
Bands n=2,k=5: [ OK ]
Bands n=2,k=6: [ OK ]
***** Sodium chain *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.cBShGv
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/03-sodium_chain.test
Using input file : ./periodic_systems/03-sodium_chain.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.cBShGv; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
Finished test run.
Bands n=1,k=1: [ OK ]
Bands n=1,k=2: [ OK ]
Bands n=1,k=3: [ OK ]
Bands n=1,k=4: [ OK ]
Bands n=1,k=5: [ OK ]
Bands n=1,k=6: [ OK ]
Bands n=2,k=1: [ OK ]
Bands n=2,k=2: [ OK ]
Bands n=2,k=3: [ OK ]
Bands n=2,k=4: [ OK ]
Bands n=2,k=5: [ OK ]
Bands n=2,k=6: [ OK ]
Using input file : ./periodic_systems/03-sodium_chain.02-ground_state_disp.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.cBShGv; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'Lsize' does not match the recommended value
** 13.228 > 9.997
Finished test run.
Bands n=1,k=1: [ OK ]
Bands n=1,k=2: [ OK ]
Bands n=1,k=3: [ OK ]
Bands n=1,k=4: [ OK ]
Bands n=1,k=5: [ OK ]
Bands n=1,k=6: [ OK ]
Bands n=2,k=1: [ OK ]
Bands n=2,k=2: [ OK ]
Bands n=2,k=3: [ OK ]
Bands n=2,k=4: [ OK ]
Bands n=2,k=5: [ OK ]
Bands n=2,k=6: [ OK ]
***** Silicon crystal *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.rfUK1D
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/04-silicon.test
Using input file : ./periodic_systems/04-silicon.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.rfUK1D; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
k-point 1 (x) : [ OK ]
k-point 1 (y) : [ OK ]
k-point 1 (z) : [ OK ]
Eigenvalue 1 : [ OK ]
Eigenvalue 8 : [ OK ]
Eigenvalue 16 : [ OK ]
Eigenvalue 17 : [ OK ]
k-point 2 (x) : [ OK ]
k-point 2 (y) : [ OK ]
k-point 2 (z) : [ OK ]
Eigenvalue 1 : [ OK ]
Eigenvalue 8 : [ OK ]
Eigenvalue 16 : [ OK ]
Eigenvalue 17 : [ OK ]
k-point 3 (x) : [ OK ]
k-point 3 (y) : [ OK ]
k-point 3 (z) : [ OK ]
Eigenvalue 1 : [ OK ]
Eigenvalue 8 : [ OK ]
Eigenvalue 16 : [ OK ]
Eigenvalue 17 : [ OK ]
k-point 4 (x) : [ OK ]
k-point 4 (y) : [ OK ]
k-point 4 (z) : [ OK ]
Eigenvalue 1 : [ OK ]
Eigenvalue 8 : [ OK ]
Eigenvalue 16 : [ OK ]
Eigenvalue 17 : [ OK ]
***** Lithium *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.4utG0L
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/05-lithium.test
Using input file : ./periodic_systems/05-lithium.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.4utG0L; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Eigenvalue [ k = 1 ] : [ OK ]
Eigenvalue [ k = 2 ] : [ OK ]
Eigenvalue [ k = 3 ] : [ OK ]
Eigenvalue [ k = 5 ] : [ OK ]
Eigenvalue [ k = 17 ] : [ OK ]
Eigenvalue [ k = 23 ] : [ OK ]
Eigenvalue [ k = 32 ] : [ OK ]
Eigenvalue [ k = 41 ] : [ OK ]
Eigenvalue [ k = 55 ] : [ OK ]
Eigenvalue [ k = 58 ] : [ OK ]
Eigenvalue [ k = 60 ] : [ OK ]
Eigenvalue [ k = 64 ] : [ OK ]
Using input file : ./periodic_systems/05-lithium.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.4utG0L; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Time propagation for periodic systems is under development.
** It might not work or produce wrong results.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Vector potential [step 1] : [ OK ]
Vector potential [step 5] : [ OK ]
Vector potential [step 10] : [ OK ]
Vector potential [step 15] : [ OK ]
Vector potential [step 20] : [ OK ]
Using input file : ./periodic_systems/05-lithium.03-td-restart.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.4utG0L; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
** Warning:
** Time propagation for periodic systems is under development.
** It might not work or produce wrong results.
Finished test run.
Energy [step 20] : [ OK ]
Energy [step 35] : [ OK ]
Energy [step 30] : [ OK ]
Vector potential [step 20] : [ OK ]
Vector potential [step 25] : [ OK ]
Vector potential [step 30] : [ OK ]
***** Water in Supercell *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.JCOoem
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./periodic_systems/06-h2o_pol_lr.test
Using input file : ./periodic_systems/06-h2o_pol_lr.01_gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.JCOoem; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Total energy : [ OK ]
Eigenvalue 1 : [ OK ]
Dipole : [ OK ]
Using input file : ./periodic_systems/06-h2o_pol_lr.02_kdotp.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.JCOoem; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** k.p perturbation and calculation of effective masses is under development.
** It might not work or produce wrong results.
** Warning:
** Sternheimer equation for periodic systems is under development.
** It might not work or produce wrong results.
** Warning:
** QMR solver (symmetric with conjugated dot product) is under development.
** It might not work or produce wrong results.
Finished test run.
Inverse effective mass 1 : [ OK ]
Inverse effective mass 2 : [ OK ]
Inverse effective mass 3 : [ OK ]
Inverse effective mass 4 : [ OK ]
Using input file : ./periodic_systems/06-h2o_pol_lr.03_emresp.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.JCOoem; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** Calculation of Born effective charges is under development.
** It might not work or produce wrong results.
** Warning:
** Sternheimer equation for periodic systems is under development.
** It might not work or produce wrong results.
** Warning:
** QMR solver (symmetric with conjugated dot product) is under development.
** It might not work or produce wrong results.
Finished test run.
Polarizability XX w=0.0 : [ OK ]
Polarizability YY w=0.0 : [ OK ]
Polarizability ZZ w=0.0 : [ OK ]
Polarizability XX w=0.1 : [ OK ]
Polarizability YY w=0.1 : [ OK ]
Polarizability ZZ w=0.1 : [ OK ]
Cross sect. (avg) w=0.1 : [ OK ]
Cross sect. (ani) w=0.1 : [ OK ]
Born charge O XX w=0.0 : [ OK ]
Born charge O YY w=0.0 : [ OK ]
Born charge O ZZ w=0.0 : [ OK ]
Born charge O XX w=0.1 : [ OK ]
Born charge O YY w=0.1 : [ OK ]
Born charge O ZZ w=0.1 : [ OK ]
***** Enforced time-reversal symmetry propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.N7jaWD
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/01-etrs.test
Using input file : ./real_time/01-etrs.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.N7jaWD; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Initial energy : [ OK ]
Using input file : ./real_time/01-etrs.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.N7jaWD; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
Using input file : ./real_time/01-etrs.03-td_lanczos.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.N7jaWD; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
***** Approximated enforced time-reversal symmetry propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.GeLtMG
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/02-aetrs.test
Using input file : ./real_time/02-aetrs.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GeLtMG; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Initial energy : [ OK ]
Using input file : ./real_time/02-aetrs.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GeLtMG; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
Using input file : ./real_time/02-aetrs.03-td_lanczos.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GeLtMG; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
Using input file : ./real_time/02-aetrs.04-kick.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.GeLtMG; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Dipole [step 1] : [ OK ]
Dipole [step 5] : [ OK ]
Dipole [step 10] : [ OK ]
Dipole [step 15] : [ OK ]
Dipole [step 20] : [ OK ]
***** Exponential midpoint-rule propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.TJFClU
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/03-exp_mid.test
Using input file : ./real_time/03-exp_mid.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.TJFClU; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Initial energy : [ OK ]
Using input file : ./real_time/03-exp_mid.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.TJFClU; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
***** Enforced time-reversal symmetry propagator - single precision *****
No valid executable found for ./real_time/04-etrs_single.test
Skipping ...
***** Car-Parrinello Molecular Dynamics *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.e2ODOb
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/05-cpmd.test
Using input file : ./real_time/05-cpmd.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.e2ODOb; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Initial energy : [ OK ]
Using input file : ./real_time/05-cpmd.02-verlet.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.e2ODOb; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
Using input file : ./real_time/05-cpmd.03-vel_verlet.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.e2ODOb; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 5] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 15] : [ OK ]
Energy [step 20] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 5] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 15] : [ OK ]
Forces [step 20] : [ OK ]
***** Visscher propagator *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.nRHgNU
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/07-visscher.test
Using input file : ./real_time/07-visscher.01-gs.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.nRHgNU; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 1 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Initial energy : [ OK ]
Using input file : ./real_time/07-visscher.02-td.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.nRHgNU; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 4 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
** Warning:
** I have fewer elements in a parallel group than recommended.
** Maybe you should reduce the number of nodes.
Finished test run.
Energy [step 1] : [ OK ]
Energy [step 10] : [ OK ]
Energy [step 20] : [ OK ]
Energy [step 30] : [ OK ]
Energy [step 40] : [ OK ]
Forces [step 1] : [ OK ]
Forces [step 10] : [ OK ]
Forces [step 20] : [ OK ]
Forces [step 30] : [ OK ]
Forces [step 40] : [ OK ]
***** Lasers *****
Using workdir : /sfs/home/cesga/mpan/tmp/octopus.xkmQgp
Using executable : /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi
Using test file : ./real_time/08-laser.test
Using input file : ./real_time/08-laser.01-ground_state.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.xkmQgp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
Using input file : ./real_time/08-laser.02-length_gauge.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.xkmQgp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
n(t=0.2) : [ OK ]
<Z>(t=0.2) : [ OK ]
Using input file : ./real_time/08-laser.03-velocity_gauge.inp
Starting test run ...
Executing: cd /sfs/home/cesga/mpan/tmp/octopus.xkmQgp; /opt/cesga/intel/intel11.0/impi/3.2.0.011/bin/mpirun -n 2 /sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite/../src/main/octopus_mpi > out
Finished test run.
n(t=0.2) : [ OK ]
<Z>(t=0.2) : [ OK ]
Passed: 34 / 38
Skipped: 3 / 38
Failed: 1 / 38
testfile # failed testcases
--------------------------------------------------------------------
finite_systems_3d/21-lobpcg.test 2
Total run-time of the testsuite: 00:12:16
make[1]: *** [check] Error 1
make[1]: Leaving directory `/sfs/home/cesga/mpan/OCTOPUS/octopus-3.2.0-mpi/src/testsuite'
make: *** [check-recursive] Error 1
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