[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-10-05

[Heiko Appel]

Total run-time of the testsuite: 05:03:04

 ***** LDA+SIC/OEP-KLI Functional *****  

Using workdir    : /tmp/octopus.Qp2CLg 
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file  : /usr/share/octopus/testsuite/finite_systems_3d/11-sic.test 


Using input file : /usr/share/octopus/testsuite/finite_systems_3d/11-sic.01-gs.inp 

Starting test run ...
Executing: cd /tmp/octopus.Qp2CLg; /usr/bin/octopus-intel-9.1-debug > out 2>&1 
Finished test run.

 Ionization Potential : 	 [  FAIL  ] 



    <><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>              
                                ___                                             
                             .-'   `'.                                          
                            /         \                                         
                            |         ;                                         
                            |         |           ___.--,                       
                   _.._     |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 - Thu Oct  5 01:18:39 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 2006/10/05 at 07:36:22


************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************


****************************** Species *******************************
Reading pseudopotential from file:
      '/usr/share/octopus/PP/HGH/Ar.hgh'
      Calculating atomic pseudo-eigenfunctions for specie Ar   ....
      Done.
**********************************************************************

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] =  12.000
The octopus will run in 3 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
  Spacing [b] = ( 0.320, 0.320, 0.320)    volume/point [b^3] =  0.03277
  # inner mesh =   221119
  # total mesh =   342135
  Grid Cutoff [H] =    48.191
**********************************************************************


****************************** Hartree *******************************
Input: [PoissonSolver = fft_corrected]
Info: FFT allocated with size (     75,     75,     75) in slot  1
Info: Multipoles corrected up to L = 2
**********************************************************************


************************ Exchange-Correlation ************************
Exchange and correlation:
  Exchange
    Slater exchange (LDA)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
octopus-intel-9.1  0000000001634FDB  Unknown               Unknown  Unknown
octopus-intel-9.1  0000000000AA9445  xc_functl_m_mp_xc         336  xc_functl.F90
octopus-intel-9.1  0000000000AAA014  xc_m_mp_xc_write_          95  xc.F90
octopus-intel-9.1  0000000000F203D7  v_ks_m_mp_v_ks_wr         164  v_ks.F90
octopus-intel-9.1  0000000000F200F8  v_ks_m_mp_v_ks_in         131  v_ks.F90
octopus-intel-9.1  0000000000F2F970  system_m_mp_syste          90  systm.F90
octopus-intel-9.1  000000000145173C  run_prog_m_mp_run         144  run.F90
octopus-intel-9.1  0000000001453C34  MAIN__                    188  main.F90
octopus-intel-9.1  0000000000400312  Unknown               Unknown  Unknown
octopus-intel-9.1  000000000171DBC7  Unknown               Unknown  Unknown
octopus-intel-9.1  00000000004001EA  Unknown               Unknown  Unknown