[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-10-03
Heiko Appel
appel at physik.fu-berlin.de
Tue Oct 3 08:03:59 WEST 2006
Total run-time of the testsuite: 06:28:53
[34m ***** Sodium chain ***** [0m
Using workdir : /tmp/octopus.SZNGOx
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/periodic_systems_1d/03-sodium_chain.test
Using input file : /usr/share/octopus/testsuite/periodic_systems_1d/03-sodium_chain.01-ground_state.inp
Starting test run ...
Executing: cd /tmp/octopus.SZNGOx; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
Bands : [ [31m FAIL [0m ]
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Running octopus, version 2.2.0pre1
build time - Tue Oct 3 01:20:11 CEST 2006
svn revision:
Compiler: ifort
Compiler flags: -static -I/home/appel/opt/intel-9.1/include -I ../libxc/src/
The octopus is swimming in n41 (Linux)
Calculation started on 2006/10/03 at 09:03:53
**********************************************************************
Info: Multi-Dataset Mode
Info: Running dataset "gs"
**********************************************************************
************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************
****************************** Species *******************************
Reading pseudopotential from file:
'/usr/share/octopus/PP/TM2/Na.ascii'
Calculating atomic pseudo-eigenfunctions for specie Na....
Done.
Info: l = 2 component used as local potential
**********************************************************************
** Warning:
** The value for 'lsize' does not match the recommended value
** 13.228 > 9.997
** Warning:
** The value for 'lsize' does not match the recommended value
** 13.228 > 9.997
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 = parallelepiped
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 1 dimension(s).
Lattice Primitive Vectors [A]
x axis 3.999
y axis 10.580
z axis 10.580
Reciprocal Lattice Primitive Vectors [A^-1]
k_x axis 1.571
k_y axis 0.594
k_z axis 0.594
Main mesh:
Spacing [A] = ( 0.333, 0.300, 0.300) volume/point [A^3] = 0.02999
# inner mesh = 14700
# total mesh = 22188
Grid Cutoff [eV] = 338.657
**********************************************************************
****************************** Hartree *******************************
Input: [PoissonSolver = fft_cyl]
Info: FFT allocated with size ( 12, 69, 69) in slot 1
Info: Poisson Cutoff Radius [A] = 10.350000
forrtl: error (65): floating invalid
Image PC Routine Line Source
octopus-intel-9.1 000000000168817A Unknown Unknown Unknown
octopus-intel-9.1 000000000161FE87 Unknown Unknown Unknown
octopus-intel-9.1 000000000161DE32 Unknown Unknown Unknown
octopus-intel-9.1 00000000008E6446 poisson_mpoisson3 161 poisson3D.F90
octopus-intel-9.1 00000000008E2D9C poisson_m_mp_pois 78 poisson3D.F90
octopus-intel-9.1 00000000008C71F9 poisson_mpoisson_ 211 poisson.F90
octopus-intel-9.1 00000000008C64AA poisson_m_mp_pois 99 poisson.F90
octopus-intel-9.1 0000000000F313BD system_m_mp_syste 89 systm.F90
octopus-intel-9.1 0000000001440440 run_prog_m_mp_run 144 run.F90
octopus-intel-9.1 0000000001442938 MAIN__ 188 main.F90
octopus-intel-9.1 0000000000400312 Unknown Unknown Unknown
octopus-intel-9.1 000000000170C707 Unknown Unknown Unknown
octopus-intel-9.1 00000000004001EA Unknown Unknown Unknown
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