[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2007-04-10
Heiko Appel
appel at physik.fu-berlin.de
Tue Apr 10 10:39:23 WEST 2007
Total run-time of the testsuite: 02:04:21
[34m ***** Functionals ***** [0m
Using workdir : /tmp/octopus.rt4fWU
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_3d/03-functionals.test
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/03-functionals.01-jellium-lsda.inp
Starting test run ...
Executing: cd /tmp/octopus.rt4fWU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [32m OK [0m ]
Eigenvalues : [ [32m OK [0m ]
Exchange : [ [32m OK [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/03-functionals.02-jellium-exx_kli.inp
Starting test run ...
Executing: cd /tmp/octopus.rt4fWU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
Eigenvalues : [ [31m FAIL [0m ]
Exchange : [ [31m FAIL [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_3d/03-functionals.03-jellium-full_exx.inp
Starting test run ...
Executing: cd /tmp/octopus.rt4fWU; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [31m FAIL [0m ]
Eigenvalues : [ [31m FAIL [0m ]
Exchange : [ [31m FAIL [0m ]
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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,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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along with this program; if not, write to the Free Software
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Running octopus, version 2.2.0pre1
build time - Tue Apr 10 02:31:15 CEST 2007
svn revision: 2820 [td.F90 2007-04-09]
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 2007/04/10 at 09:54:17
************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************
****************************** Species *******************************
Specie "jellium" is a jellium sphere / approximated point particle.
Valence charge = 8.000000
Radius [a.u] = 6.560000
Rs [a.u] = 3.280000
**********************************************************************
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] = 13.000
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.350, 0.350, 0.350) volume/point [b^3] = 0.04287
# inner mesh = 214639
# total mesh = 333735
Grid Cutoff [H] = 40.284
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = isf]
Build the kernel using a sum of 89 gaussians
Do a 3D HalFFT for the kernel
**********************************************************************
Input: [Preconditioner = no]
*************************** Linear Solver ****************************
Linear Solver: Conjugated Gradients
**********************************************************************
************************ Exchange-Correlation ************************
Exchange and correlation:
Exchange
Exact exchange (OEP)
Input: [OEP_level = oep_full]
**********************************************************************
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
******************** Loading restart information *********************
All the needed files were succesfully read.
**********************************************************************
Info: Setting up Hamiltonian.
forrtl: error (65): floating invalid
Image PC Routine Line Source
octopus-intel-9.1 0000000000ED9C22 linear_solver_m_m 115 linear_solver_inc.F90
octopus-intel-9.1 0000000000ED3D7E linear_solver_m_m 39 linear_solver_inc.F90
octopus-intel-9.1 0000000000FA7EE8 xc_oep_m_mp_dxc_o 181 xc_OEP_inc.F90
octopus-intel-9.1 0000000000FA1CD1 xc_oep_m_mp_dxc_o 112 xc_OEP_inc.F90
octopus-intel-9.1 0000000000FF0EAB v_ks_mv_ks_calc_m 292 v_ks.F90
octopus-intel-9.1 0000000000FE9D4E v_ks_m_mp_v_ks_ca 202 v_ks.F90
octopus-intel-9.1 0000000000FF662F system_m_mp_syste 179 systm.F90
octopus-intel-9.1 00000000011AA34B ground_state_m_mp 159 gs.F90
octopus-intel-9.1 00000000014E91E0 run_prog_m_mp_run 102 run.F90
octopus-intel-9.1 00000000014EBD51 MAIN__ 192 main.F90
octopus-intel-9.1 0000000000400312 Unknown Unknown Unknown
octopus-intel-9.1 0000000001BBF047 Unknown Unknown Unknown
octopus-intel-9.1 00000000004001EA Unknown Unknown Unknown
msg: I/O Error.
msg: I/O Error.
msg: I/O Error.
msg: I/O Error.
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