[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-10-27
Heiko Appel
appel at physik.fu-berlin.de
Fri Oct 27 06:52:16 WEST 2006
Total run-time of the testsuite: 05:17:13
[34m ***** Linear Response Polarizabilities ***** [0m
Using workdir : /tmp/octopus.Gu7Rym
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.Gu7Rym; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
Ground State Eigenvalues : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.02_h2o_dyn_pol.inp
Starting test run ...
Executing: cd /tmp/octopus.Gu7Rym; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Polarizability XX w=0.0 : [ [31m FAIL [0m ]
Polarizability YY w=0.0 : [ [31m FAIL [0m ]
Polarizability ZZ w=0.0 : [ [31m FAIL [0m ]
Polarizability XX w=0.1 : [ [31m FAIL [0m ]
Polarizability YY w=0.1 : [ [31m FAIL [0m ]
Polarizability ZZ w=0.1 : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Starting test run ...
Executing: cd /tmp/octopus.Gu7Rym; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Restart : [ [32m OK [0m ]
Polarizability XX w=0.0 : [ [31m FAIL [0m ]
Polarizability YY w=0.0 : [ [31m FAIL [0m ]
Polarizability ZZ w=0.0 : [ [31m FAIL [0m ]
Polarizability XX w=0.1 : [ [31m FAIL [0m ]
Polarizability YY w=0.1 : [ [31m FAIL [0m ]
Polarizability ZZ w=0.1 : [ [31m FAIL [0m ]
Cross Section w=0.1 : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/14-h2o_pol_lr.04_h2o_hpol.inp
Starting test run ...
Executing: cd /tmp/octopus.Gu7Rym; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Hyperpolarizability w=0.0 : [ [31m FAIL [0m ]
Hyperpolarizability w=0.1 : [ [31m FAIL [0m ]
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Running octopus, version 2.2.0pre1
build time - Fri Oct 27 01:20:59 CEST 2006
svn revision:
Compiler: ifort
Compiler flags: -static -I/home/appel/opt/intel-9.1/include -g -O0 -assume minus
The octopus is swimming in n41 (Linux)
Calculation started on 2006/10/27 at 07:51:36
************************** 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)
[1] P.A.M. Dirac, Proceedings of the Cambridge Philosophical Society 26, 376 (1930)
[2] F. Bloch, Zeitschrift fuer Physik 57, 545 (1929)
Correlation
Perdew & Zunger (Modified) (LDA)
[1] Perdew and Zunger, Phys. Rev. B 23, 5048 (1981)
[2] Modified to improve the matching between the low and high rs parts
Input: [SICCorrection = sic_none]
**********************************************************************
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
Input: [RestartFileFormat = restart_plain]
**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* Could not properly read wave-functions from "tmp/restart_gs".
*--------------------------------------------------------------------
* Stack:
**********************************************************************
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