[Octopus-notify] [oct-run_testsuite on x86_64] daily report - 2006-08-09

Heiko Appel appel at physik.fu-berlin.de
Wed Aug 9 11:18:56 WEST 2006


Total run-time of the testsuite: 10:13:55

 ***** 1D Box *****  

Using workdir    : /tmp/octopus.J1pxH4 
Using executable : /usr/bin/octopus-intel-9.1-debug 
Using test file  : /usr/share/octopus/testsuite/finite_systems_1d/04-box_oct_long.test 


Using input file : /usr/share/octopus/testsuite/finite_systems_1d/04-box.01-ground_state.inp 

Starting test run ...
Executing: cd /tmp/octopus.J1pxH4; /usr/bin/octopus-intel-9.1-debug > out 2>&1 
Finished test run.

 TotalEnergy : 	 [   OK   ] 
 2th state  : 	 [   OK   ] 


Using input file : /usr/share/octopus/testsuite/finite_systems_1d/04-box.02-oct_long.inp 

Starting test run ...
Executing: cd /tmp/octopus.J1pxH4; /usr/bin/octopus-intel-9.1-debug > out 2>&1 
Finished test run.

 J1 1st iteration   : 	 [   OK   ] 
 J1 2nd iteration   : 	 [   OK   ] 
 J1 5th iteration   : 	 [   OK   ] 
 J1 10th iteration  : 	 [   OK   ] 
 J1 15th iteration  : 	 [   OK   ] 


Using input file : /usr/share/octopus/testsuite/finite_systems_1d/04-box.03-oct_long.inp 

Starting test run ...
Executing: cd /tmp/octopus.J1pxH4; /usr/bin/octopus-intel-9.1-debug > out 2>&1 
Finished test run.

 J1 1st iteration  : 	 [   OK   ] 
 J1 2nd iteration  : 	 [   OK   ] 
 J1 5th iteration  : 	 [   OK   ] 
 J1 10th iteration  : 	 [   OK   ] 
 J1 15th iteration  : 	 [   OK   ] 


Using input file : /usr/share/octopus/testsuite/finite_systems_1d/04-box.04-oct_long.inp 

Starting test run ...
Executing: cd /tmp/octopus.J1pxH4; /usr/bin/octopus-intel-9.1-debug > out 2>&1 
Finished test run.

 J1 1st  iteration  : 	 [   OK   ] 
 J1 2nd  iteration  : 	 [   OK   ] 
 J1 5th  iteration  : 	 [   OK   ] 
 J1 10th iteration  : 	 [   OK   ] 
 J1 15th iteration  : 	 [   OK   ] 


Using input file : /usr/share/octopus/testsuite/finite_systems_1d/04-box.05-oct_local.inp 

Starting test run ...
Executing: cd /tmp/octopus.J1pxH4; /usr/bin/octopus-intel-9.1-debug > out 2>&1 
Finished test run.

 J1 1st  iteration  : 	 [  FAIL  ] 
 J1 2nd  iteration  : 	 [  FAIL  ] 
 J1 5th  iteration  : 	 [  FAIL  ] 
 J1 15th  iteration  : 	 [  FAIL  ] 
 J1 25th  iteration  : 	 [  FAIL  ] 



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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        
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    any later version.                                                          
                                                                                
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    but WITHOUT ANY WARRANTY; without even the implied warranty of              
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    GNU General Public License for more details.                                
                                                                                
    You should have received a copy of the GNU General Public License           
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    Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA                   
                                                                                
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                   Running octopus, version 2.1pre1
              build time - Wed Aug  9 00:31:46 CEST 2006
                            svn revision:

                           Compiler: ifort
     Compiler flags: -static -I/home/appel/opt/intel-9.1/include

                The octopus is swimming in n41 (Linux)


            Calculation started on 2006/08/09 at 02:38:20


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


****************************** Species *******************************
Specie "Box1D" is an user-defined potential.
   Potential = -5*step(x+5)*step(5-x) 
**********************************************************************

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] =  15.000
The octopus will run in 1 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
  Spacing [b] = ( 0.400,-1.000,-1.000)    volume/point [b^3] =  0.40000
  # inner mesh =       75
  # total mesh =       83
  Grid Cutoff [H] =    30.843
**********************************************************************


****************************** Hartree *******************************
Input: [PoissonSolver = direct1D]
**********************************************************************

Info: Treating the electrons as non-interacting
Info: Lasers
 1:
   Polarization: ( 1.0000, 0.0000)( 0.0000, 0.0000)( 0.0000, 0.0000)
   Envelope:      0
   Frequency:     0.0200 [H]
   Amplitude:     0.1000 [H/b]
   Intensity:     3.5095E+14 [W/cm^2]
   Width:       628.3185 [hbar/H]
   Middle t:    628.3185 [hbar/H]
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = no_absorbing]
Input: [RestartFileFormat = restart_plain]
Input: [MoveIons = static_ions]
Info: FFT allocated with size (     75,      1,      1) in slot  1
Input: [TDEvolutionMethod = split]
Input: [TDExponentialMethod = standard]
Info: Number of electrons:    1
Input: [SpinComponents = unpolarized]
Input: [SpinComponents = unpolarized]
Input: [SpinComponents = unpolarized]
Input: [SpinComponents = unpolarized]
Input: [SpinComponents = unpolarized]
Input: Fluence of Initial laser     0.81094072
Input: [SpinComponents = unpolarized]
Info: Using Ground State for InitialState
Input: [SpinComponents = unpolarized]
Info: Using Local Target
Info: Starting Optimal Control Run  using Scheme: ZR98
Info: Initial forward propagation
Info: Forward propagating Psi

Info: Calculate overlap
       => overlap:    0.23148450
Info: Loop control
Info: Optimal control iteration #  0
       => J1:    0.23148450   J:    -2131262.34469746  I:     0.40547036
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.12644429
Info: Loop control
Info: Optimal control iteration #  1
       => J1:    0.12644429   J:           0.07231501  I:     0.02828302
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.21539364
Info: Loop control
Info: Optimal control iteration #  2
       => J1:    0.21539364   J:           0.21392927  I:     0.00038236
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.24096139
Info: Loop control
Info: Optimal control iteration #  3
       => J1:    0.24096139   J:           0.23265111  I:     0.00259726
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.25516115
Info: Loop control
Info: Optimal control iteration #  4
       => J1:    0.25516115   J:           0.24139481  I:     0.00477060
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.26485688
Info: Loop control
Info: Optimal control iteration #  5
       => J1:    0.26485688   J:           0.24693488  I:     0.00657958
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.27214499
Info: Loop control
Info: Optimal control iteration #  6
       => J1:    0.27214499   J:           0.25091164  I:     0.00810688
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.27793065
Info: Loop control
Info: Optimal control iteration #  7
       => J1:    0.27793065   J:           0.25394938  I:     0.00943402
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.28268317
Info: Loop control
Info: Optimal control iteration #  8
       => J1:    0.28268317   J:           0.25635224  I:     0.01061405
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.28667651
Info: Loop control
Info: Optimal control iteration #  9
       => J1:    0.28667651   J:           0.25829418  I:     0.01167971
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.29008516
Info: Loop control
Info: Optimal control iteration # 10
       => J1:    0.29008516   J:           0.25988619  I:     0.01265159
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.29302804
Info: Loop control
Info: Optimal control iteration # 11
       => J1:    0.29302804   J:           0.26120465  I:     0.01354333
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.29559062
Info: Loop control
Info: Optimal control iteration # 12
       => J1:    0.29559062   J:           0.26230493  I:     0.01436450
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.29783698
Info: Loop control
Info: Optimal control iteration # 13
       => J1:    0.29783698   J:           0.26322869  I:     0.01512231
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.29981675
Info: Loop control
Info: Optimal control iteration # 14
       => J1:    0.29981675   J:           0.26400811  I:     0.01582251
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30156936
Info: Loop control
Info: Optimal control iteration # 15
       => J1:    0.30156936   J:           0.26466854  I:     0.01646992
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30312678
Info: Loop control
Info: Optimal control iteration # 16
       => J1:    0.30312678   J:           0.26523020  I:     0.01706876
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30451533
Info: Loop control
Info: Optimal control iteration # 17
       => J1:    0.30451533   J:           0.26570947  I:     0.01762275
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30575691
Info: Loop control
Info: Optimal control iteration # 18
       => J1:    0.30575691   J:           0.26611967  I:     0.01813530
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30686999
Info: Loop control
Info: Optimal control iteration # 19
       => J1:    0.30686999   J:           0.26647175  I:     0.01860949
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30787022
Info: Loop control
Info: Optimal control iteration # 20
       => J1:    0.30787022   J:           0.26677474  I:     0.01904820
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30877096
Info: Loop control
Info: Optimal control iteration # 21
       => J1:    0.30877096   J:           0.26703614  I:     0.01945405
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.30958372
Info: Loop control
Info: Optimal control iteration # 22
       => J1:    0.30958372   J:           0.26726222  I:     0.01982948
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.31031839
Info: Loop control
Info: Optimal control iteration # 23
       => J1:    0.31031839   J:           0.26745819  I:     0.02017675
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.31098359
Info: Loop control
Info: Optimal control iteration # 24
       => J1:    0.31098359   J:           0.26762845  I:     0.02049796
Info: Propagating backward
Info: Propagating forward
Info: Calculate overlap
       => overlap:    0.31158681
Info: Loop control
Info: Maximum number of iterations reached
Info: Optimal control iteration # 25
       => J1:    0.31158681   J:           0.26777670  I:     0.02079505
Info: Output States
Info: FFT deallocated from slot    1

             Calculation ended on 2006/08/09 at 02:43:33




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