[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-10-06
Heiko Appel
appel at physik.fu-berlin.de
Fri Oct 6 06:35:24 WEST 2006
Total run-time of the testsuite: 05:00:19
[34m ***** Linear Response Polarizabilities ***** [0m
Using workdir : /tmp/octopus.8SCxcU
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.test
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.01_h2o_gs.inp
Starting test run ...
Executing: cd /tmp/octopus.8SCxcU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
Eigenvalues : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.02_h2o_static_pol.inp
Starting test run ...
Executing: cd /tmp/octopus.8SCxcU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Polarizability 11: [ [31m FAIL [0m ]
Mean polarizability : [ [31m FAIL [0m ]
Hyperpolarizability : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.03_h2o_dyn_pol.inp
Starting test run ...
Executing: cd /tmp/octopus.8SCxcU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Polarizability w=0.0: [ [31m FAIL [0m ]
Polarizability w=0.1: [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.04_h2o_dyn_pol_cmplx.inp
Starting test run ...
Executing: cd /tmp/octopus.8SCxcU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Complex polarizability w=0.0: [ [31m FAIL [0m ]
Complex polarizability w=0.1: [ [31m FAIL [0m ]
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Running octopus, version 2.2.0pre1
build time - Thu Oct 5 01:18:39 CEST 2006
svn revision:
Compiler: ifort
Compiler flags: -static -I/home/appel/opt/intel-9.1/include -I ../libxc/src/
The octopus is swimming in n41 (Linux)
Calculation started on 2006/10/06 at 07:35:02
************************** Calculation Mode **************************
Input: [CalculationMode = pol_lr]
**********************************************************************
****************************** Species *******************************
Reading pseudopotential from file:
'/usr/share/octopus/PP/TM2/O.ascii'
Calculating atomic pseudo-eigenfunctions for specie O ....
Done.
Info: l = 0 component used as local potential
Reading pseudopotential from file:
'/usr/share/octopus/PP/TM2/H.ascii'
Calculating atomic pseudo-eigenfunctions for specie H ....
Done.
Info: l = 0 component used as local potential
**********************************************************************
Input: [SpinComponents = unpolarized]
Input: [CurvMethod = curv_uniform]
Input: [DerivativesSpace = real_space]
Input: [DerivativesStencil = stencil_star]
************************** Parallelization ***************************
Octopus will run in *serial*
**********************************************************************
******************************** Grid ********************************
Simulation Box:
Type = around nuclei
Radius [b] = -1.000
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.650, 0.650, 0.650) volume/point [b^3] = 0.27463
# inner mesh = 8807
# total mesh = 26423
Grid Cutoff [H] = 11.680
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = fft]
Info: FFT allocated with size ( 63, 63, 63) in slot 1
Info: Poisson Cutoff Radius [b] = 20.475000
**********************************************************************
************************ Exchange-Correlation ************************
Exchange and correlation:
Exchange
Slater exchange (LDA)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
octopus-intel-9.1 0000000001634FDB Unknown Unknown Unknown
octopus-intel-9.1 0000000000AA9445 xc_functl_m_mp_xc 336 xc_functl.F90
octopus-intel-9.1 0000000000AAA014 xc_m_mp_xc_write_ 95 xc.F90
octopus-intel-9.1 0000000000F203D7 v_ks_m_mp_v_ks_wr 164 v_ks.F90
octopus-intel-9.1 0000000000F200F8 v_ks_m_mp_v_ks_in 131 v_ks.F90
octopus-intel-9.1 0000000000F2F970 system_m_mp_syste 90 systm.F90
octopus-intel-9.1 000000000145173C run_prog_m_mp_run 144 run.F90
octopus-intel-9.1 0000000001453C34 MAIN__ 188 main.F90
octopus-intel-9.1 0000000000400312 Unknown Unknown Unknown
octopus-intel-9.1 000000000171DBC7 Unknown Unknown Unknown
octopus-intel-9.1 00000000004001EA Unknown Unknown Unknown
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