[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-08-09
Heiko Appel
appel at physik.fu-berlin.de
Wed Aug 9 11:18:57 WEST 2006
Total run-time of the testsuite: 10:13:55
[34m ***** 1D-Neon - MPI ***** [0m
Using workdir : /tmp/octopus.ylIPW2
Using executable : /usr/bin/octopus_mpi-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_1d/02-neon_mpi.test
Using input file : /usr/share/octopus/testsuite/finite_systems_1d/02-neon_mpi.01-ground_state-kli_par_domains.inp
Starting test run ...
Executing: cd /tmp/octopus.ylIPW2; /usr/bin/octopus_mpi-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_1d/02-neon_mpi.02-td_calc-kli_par_states.inp
Starting test run ...
Executing: cd /tmp/octopus.ylIPW2; /usr/bin/octopus_mpi-intel-9.1-debug > out 2>&1
Finished test run.
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This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2, or (at your option)
any later version.
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
GNU General Public License for more details.
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Running octopus, version 2.1pre1
build time - Wed Aug 9 00:48:13 CEST 2006
svn revision:
Compiler: /home/appel/opt/intel-9.1/mpich2/bin/mpif90
Compiler flags: -I/home/appel/opt/intel-9.1/include
The octopus is swimming in n41 (Linux)
Calculation started on 2006/08/09 at 12:18:39
************************** Calculation Mode **************************
Input: [CalculationMode = td]
**********************************************************************
****************************** Species *******************************
Specie "Neon1D" is an user-defined potential.
Potential = -10/sqrt(1+(x)^2)
**********************************************************************
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 = sphere
Radius [b] = 50.000
The octopus will run in 1 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.200,-1.000,-1.000) volume/point [b^3] = 0.20000
# inner mesh = 501
# total mesh = 509
Grid Cutoff [H] = 123.370
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = direct1D]
**********************************************************************
************************ Exchange-Correlation ************************
Exchange and correlation:
Exchange
Exact exchange (OEP)
Input: [OEP_level = oep_kli]
**********************************************************************
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
Input: [RestartFileFormat = restart_plain]
Input: [MoveIons = static_ions]
Input: [TDEvolutionMethod = etrs]
Input: [TDExponentialMethod = standard]
******************** Loading restart information *********************
All the needed files were succesfully read.
**********************************************************************
********************* Time-Dependent Simulation **********************
Iter Time Energy Elapsed Time
**********************************************************************
1 0.070000 -31.526573 2.010
2 0.140000 -31.526572 2.000
3 0.210000 -31.526571 1.350
4 0.280000 -31.526569 1.360
5 0.350000 -31.526568 1.340
6 0.420000 -31.526566 1.350
7 0.490000 -31.526565 1.350
8 0.560000 -31.526564 1.350
9 0.630000 -31.526562 1.350
10 0.700000 -31.526561 1.350
Calculation ended on 2006/08/09 at 12:18:54
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