[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-10-28
Heiko Appel
appel at physik.fu-berlin.de
Sat Oct 28 07:02:36 WEST 2006
Total run-time of the testsuite: 05:27:32
[34m ***** Restart ***** [0m
Using workdir : /tmp/octopus.rrrFkx
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_3d/06-restart.test
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/06-restart.01-ground_state.inp
Starting test run ...
Executing: cd /tmp/octopus.rrrFkx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/06-restart.02-restart_ground_state.inp
Starting test run ...
Executing: cd /tmp/octopus.rrrFkx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Ground state restart : [ [31m FAIL [0m ]
Ground state restart : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/06-restart.03-td_calc.inp
Starting test run ...
Executing: cd /tmp/octopus.rrrFkx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Time-dependent start : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/06-restart.04-restart_td_calc.inp
Starting test run ...
Executing: cd /tmp/octopus.rrrFkx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Time-dependent restart : [ [31m FAIL [0m ]
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This program is distributed in the hope that it will be useful,
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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Running octopus, version 2.2.0pre1
build time - Sat Oct 28 01:20:33 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 2006/10/28 at 07:15:55
************************** Calculation Mode **************************
Input: [CalculationMode = td]
**********************************************************************
****************************** Species *******************************
Reading pseudopotential from file:
'/usr/share/octopus/PP/TM2/Na.ascii'
Calculating atomic pseudo-eigenfunctions for specie Na....
Done.
Info: l = 0 component used as local potential
**********************************************************************
Input: [SpinComponents = polarized]
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] = 7.000
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.500, 0.500, 0.500) volume/point [b^3] = 0.12500
# inner mesh = 11513
# total mesh = 32305
Grid Cutoff [H] = 19.739
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = fft]
Info: FFT allocated with size ( 63, 63, 63) in slot 1
Info: Poisson Cutoff Radius [b] = 15.750000
**********************************************************************
************************ 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]
Input: [MoveIons = static_ions]
Input: [TDEvolutionMethod = etrs]
Input: [TDExponentialMethod = taylor]
******************** Loading restart information *********************
** Warning:
** Could not load tmp/restart_td: Starting from scratch
******************** Loading restart information *********************
**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* Could not read KS orbitals from 'tmp/restart_gs'
* Please run a ground-state calculation first!
*--------------------------------------------------------------------
* Stack:
**********************************************************************
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