[Octopus-devel] [oct-run_testsuite on i386] daily report
Heiko Appel
appel at physik.fu-berlin.de
Wed Mar 8 02:03:24 WET 2006
Linux n11 2.6.12-smp-1 #1 SMP Fri Jul 29 11:33:53 CEST 2005 i686 GNU/Linux
AMD Opteron(tm) Processor 248
AMD Opteron(tm) Processor 248
MemTotal: 4073824 kB
[34m ***** 1D-Hydrogen ***** [0m
Using workdir : /tmp/tmp.4hh0U4
Using executable : /usr/bin/octopus
Using test file : /usr/share/octopus/testsuite/Hydrogen.test
Starting test run ...
Finished test run.
TotalEnergy : [ [32m OK [0m ]
10th state : [ [31m FAIL [0m ]
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___
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| ;
| | ___.--,
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__.--'`_.. '.__.\ '--. \_.-' ,.--'` `""`
( ,.--'` ',__ /./; ;, '.__.'` __
_`) ) .---.__.' / | |\ \__..--"" """--.,_
`---' .'.''-._.-'`_./ /\ '. \ _.-~~~````~~~-._`-.__.'
| | .' _.-' | | \ \ '. `~---`
\ \/ .' \ \ '. '-._)
\/ / \ \ `=.__`~-.
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 2.0.1devel
(build time - Tue Mar 7 02:01:01 CET 2006)
(latest cvs changes: 2006/03/06 19:11:52 poisson.F90,v 1.54)
Compiler: ifc
Compiler flags: -mp1 -prec_div -O3 -tpp7 -xW -static -I/home/appel/opt/intel/inc
The octopus is swimming in n11 (Linux)
Calculation started on 2006/03/08 at 02:15:13
**********************************************************************
Info: Multi-Dataset Mode
Info: Running dataset "ground_state_ "
**********************************************************************
************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************
****************************** Species *******************************
Specie "Hydrogen1D" is an user-defined potential.
Potential = -1/sqrt(1+(x)^2)
**********************************************************************
Input: [SpinComponents = unpolarized]
Input: [CurvMethod = curv_uniform]
Input: [DerivativesSpace = real_space]
Input: [DerivativesStencil = stencil_star]
************************** Paralellization ***************************
Octopus will run in *serial*
**********************************************************************
******************************** Grid ********************************
Simulation Box:
Type = sphere
Radius [b] = 100.000
The octopus will run in 1 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.500,-1.000,-1.000) volume/point [b^3] = 0.50000
# inner mesh = 401
# total mesh = 409
Grid Cutoff [H] = 19.739
**********************************************************************
Info: Treating the electrons as non-interacting
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
Input: [RestartFileFormat = restart_plain]
Info: Random generating starting wavefunctions.
Info: Unnormalized total charge = 1.000000
Info: Renormalized total charge = 1.000000
Info: Setting up Hamiltonian.
Info: SCF using real wavefunctions.
Input: [What2Mix = density] (what to mix during SCF cycles)
Input: [TypeOfMixing = linear]
Input: [EigenSolver = cg]
*********************** SCF CYCLE ITER # 1 ************************
etot = -6.69786029E-01 abs_ev = 1.15E-01 rel_ev = 1.71E-01
abs_dens = 3.13E-01 rel_dens = 3.13E-01
Matrix vector products: 39
Converged eigenvectors: 1
Eigenvalues [H]
#st Spin Eigenvalue Occupation Error
1 -- -0.669786 1.000000 (9.5E-07)
**********************************************************************
*********************** SCF CYCLE ITER # 2 ************************
etot = -6.69786029E-01 abs_ev = 1.26E-13 rel_ev = 1.88E-13
abs_dens = 1.69E-08 rel_dens = 1.69E-08
Matrix vector products: 2
Converged eigenvectors: 1
Eigenvalues [H]
#st Spin Eigenvalue Occupation Error
1 -- -0.669786 1.000000 (6.4E-07)
**********************************************************************
Info: SCF converged in 2 iterations
Calculation ended on 2006/03/08 at 02:15:13
<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
___
.-' `'.
/ \
| ;
| | ___.--,
_.._ |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 2.0.1devel
(build time - Tue Mar 7 02:01:01 CET 2006)
(latest cvs changes: 2006/03/06 19:11:52 poisson.F90,v 1.54)
Compiler: ifc
Compiler flags: -mp1 -prec_div -O3 -tpp7 -xW -static -I/home/appel/opt/intel/inc
The octopus is swimming in n11 (Linux)
Calculation started on 2006/03/08 at 02:15:13
**********************************************************************
Info: Multi-Dataset Mode
Info: Running dataset "excited_states_ "
**********************************************************************
************************** Calculation Mode **************************
Input: [CalculationMode = unocc]
**********************************************************************
****************************** Species *******************************
Specie "Hydrogen1D" is an user-defined potential.
Potential = -1/sqrt(1+(x)^2)
**********************************************************************
Input: [SpinComponents = unpolarized]
Input: [CurvMethod = curv_uniform]
Input: [DerivativesSpace = real_space]
Input: [DerivativesStencil = stencil_star]
************************** Paralellization ***************************
Octopus will run in *serial*
**********************************************************************
******************************** Grid ********************************
Simulation Box:
Type = sphere
Radius [b] = 100.000
The octopus will run in 1 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.500,-1.000,-1.000) volume/point [b^3] = 0.50000
# inner mesh = 401
# total mesh = 409
Grid Cutoff [H] = 19.739
**********************************************************************
Info: Treating the electrons as non-interacting
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
Input: [RestartFileFormat = restart_plain]
Input: [EigenSolver = cg]
******************** Loading restart information *********************
** Address Error **
End of diagnostics
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