[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2007-04-08
Heiko Appel
appel at physik.fu-berlin.de
Sun Apr 8 12:42:43 WEST 2007
Total run-time of the testsuite: 04:07:39
[34m ***** Full Potential Hydrogen ***** [0m
Using workdir : /tmp/octopus.r2UuNx
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_3d/13-full_potential_hydrogen.test
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/13-full_potential_hydrogen.01-gs.inp
Starting test run ...
Executing: cd /tmp/octopus.r2UuNx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [32m OK [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/13-full_potential_hydrogen.02-gs-mg.inp
Starting test run ...
Executing: cd /tmp/octopus.r2UuNx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
[34m ***** Full Potential Hydrogen ***** [0m
Using workdir : /tmp/octopus.DYK5Dl
Using executable : /usr/bin/octopus_mpi-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_3d/13-full_potential_hydrogen.test
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/13-full_potential_hydrogen.01-gs.inp
Starting test run ...
Executing: cd /tmp/octopus.DYK5Dl; /usr/bin/octopus_mpi-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [32m OK [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/13-full_potential_hydrogen.02-gs-mg.inp
Starting test run ...
Executing: cd /tmp/octopus.DYK5Dl; /usr/bin/octopus_mpi-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
___
.-' `'.
/ \
| ;
| | ___.--,
_.._ |0) ~ (0) | _.---'`__.-( (_.
__.--'`_.. '.__.\ '--. \_.-' ,.--'` `""`
( ,.--'` ',__ /./; ;, '.__.'` __
_`) ) .---.__.' / | |\ \__..--"" """--.,_
`---' .'.''-._.-'`_./ /\ '. \ _.-~~~````~~~-._`-.__.'
| | .' _.-' | | \ \ '. `~---`
\ \/ .' \ \ '. '-._)
\/ / \ \ `=.__`~-.
jgs / /\ `) ) / / `"".`\
, _.-'.'\ \ / / ( ( / /
`--~` ) ) .-'.' '.'. | (
(/` ( (` ) ) '-;
` '-; (-'
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,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
Running octopus, version 2.2.0pre1
build time - Fri Apr 6 02:31:27 CEST 2007
svn revision: 2815 [specie.F90 2007-04-05]
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 2007/04/08 at 12:05:37
************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************
****************************** Species *******************************
Specie "H_f" is an all electron atom.
Z = 1.000000
Potential will be calulated solving poisson equation
for a delta density distribution.
** Warning:
** Gradients are not calculated, forces are not correct.
** Warning:
** If octopus stops with error, turnoff LCAO (LCAOStart = no).
**********************************************************************
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] = 8.000
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.400, 0.400, 0.400) volume/point [b^3] = 0.06400
# inner mesh = 33401
# total mesh = 71953
Grid Cutoff [H] = 30.843
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = multigrid]
Info: Multipoles corrected up to L = 4
Input: [PoissonSolverMGRestrictionMethod = fullweight]
Input: [PoissonSolverMGRelaxationMethod = gauss_seidel]
Multigrid levels: 3
Main mesh:
Spacing [b] = ( 0.800, 0.800, 0.800) volume/point [b^3] = 0.51200
# inner mesh = 4169
# total mesh = 16321
Grid Cutoff [H] = 7.711
Input: [DerivativesSpace = real_space]
Input: [DerivativesStencil = stencil_star]
Main mesh:
Spacing [b] = ( 1.600, 1.600, 1.600) volume/point [b^3] = 4.09600
# inner mesh = 515
# total mesh = 5083
Grid Cutoff [H] = 1.928
Input: [DerivativesSpace = real_space]
Input: [DerivativesStencil = stencil_star]
**********************************************************************
Info: Treating the electrons as non-interacting
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
forrtl: error (72): floating overflow
Image PC Routine Line Source
octopus-intel-9.1 000000000096BADA poisson_multigrid 305 poisson_multigrid.F90
octopus-intel-9.1 00000000009689BD poisson_multigrid 249 poisson_multigrid.F90
octopus-intel-9.1 00000000009945FB poisson_m_mp_dpoi 380 poisson.F90
octopus-intel-9.1 0000000000DBC9CF external_pot_m_mp 923 epot.F90
octopus-intel-9.1 0000000000DB3814 external_pot_m_mp 748 epot.F90
octopus-intel-9.1 00000000014DC03B run_prog_m_mp_run 153 run.F90
octopus-intel-9.1 00000000014DE464 MAIN__ 191 main.F90
octopus-intel-9.1 0000000000400312 Unknown Unknown Unknown
octopus-intel-9.1 0000000001BB0BC7 Unknown Unknown Unknown
octopus-intel-9.1 00000000004001EA Unknown Unknown Unknown
<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
___
.-' `'.
/ \
| ;
| | ___.--,
_.._ |0) ~ (0) | _.---'`__.-( (_.
__.--'`_.. '.__.\ '--. \_.-' ,.--'` `""`
( ,.--'` ',__ /./; ;, '.__.'` __
_`) ) .---.__.' / | |\ \__..--"" """--.,_
`---' .'.''-._.-'`_./ /\ '. \ _.-~~~````~~~-._`-.__.'
| | .' _.-' | | \ \ '. `~---`
\ \/ .' \ \ '. '-._)
\/ / \ \ `=.__`~-.
jgs / /\ `) ) / / `"".`\
, _.-'.'\ \ / / ( ( / /
`--~` ) ) .-'.' '.'. | (
(/` ( (` ) ) '-;
` '-; (-'
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,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
Running octopus, version 2.2.0pre1
build time - Fri Apr 6 04:06:33 CEST 2007
svn revision: 2815 [specie.F90 2007-04-05]
Compiler: /home/appel/opt/intel-9.1/mpich2/bin/mpif90
Compiler flags: -I/home/appel/opt/intel-9.1/include -g -O0 -assume minus0 -debug
The octopus is swimming in n41 (Linux)
Calculation started on 2007/04/08 at 12:05:59
************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************
****************************** Species *******************************
Specie "H_f" is an all electron atom.
Z = 1.000000
Potential will be calulated solving poisson equation
for a delta density distribution.
** Warning:
** From node = 0
** Gradients are not calculated, forces are not correct.
** Warning:
** From node = 0
** If octopus stops with error, turnoff LCAO (LCAOStart = no).
**********************************************************************
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] = 8.000
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.400, 0.400, 0.400) volume/point [b^3] = 0.06400
# inner mesh = 33401
# total mesh = 71953
Grid Cutoff [H] = 30.843
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = multigrid]
Info: Multipoles corrected up to L = 4
forrtl: error (73): floating divide by zero
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