[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
[34m ***** 1D Asymmetric Double Well ***** [0m
Using workdir : /tmp/octopus.DUYaYe
Using executable : /usr/bin/octopus-intel-9.1-debug
Using test file : /usr/share/octopus/testsuite/finite_systems_1d/05-adw_oct_features.test
Using input file : /usr/share/octopus/testsuite/finite_systems_1d/05-adw.01-ground_state.inp
Starting test run ...
Executing: cd /tmp/octopus.DUYaYe; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
TotalEnergy : [ [32m OK [0m ]
2th state : [ [32m OK [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_1d/05-adw.02-filter_fixed.inp
Starting test run ...
Executing: cd /tmp/octopus.DUYaYe; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
J1 1st iteration : [ [32m OK [0m ]
J1 2nd iteration : [ [32m OK [0m ]
J1 5th iteration : [ [32m OK [0m ]
Using input file : /usr/share/octopus/testsuite/finite_systems_1d/05-adw.03-filter_indirect.inp
Starting test run ...
Executing: cd /tmp/octopus.DUYaYe; /usr/bin/octopus-intel-9.1-debug > out 2>&1
Finished test run.
J1 1st iteration : [ [32m OK [0m ]
J1 2nd iteration : [ [32m OK [0m ]
J1 5th iteration : [ [31m FAIL [0m ]
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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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 02:50:38
************************** Calculation Mode **************************
Input: [CalculationMode = opt_control]
**********************************************************************
****************************** Species *******************************
Specie "AWD1D" is an user-defined potential.
Potential = 1/64*(x)^4-1/4*(x)^2+1/256*(x)^3
**********************************************************************
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] = 8.000
The octopus will run in 1 dimension(s).
The octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
Spacing [b] = ( 0.100,-1.000,-1.000) volume/point [b^3] = 0.10000
# inner mesh = 161
# total mesh = 169
Grid Cutoff [H] = 493.480
**********************************************************************
****************************** 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: 0.1000 [H]
Amplitude: 0.1000 [H/b]
Intensity: 3.5095E+14 [W/cm^2]
Width: 125.6637 [hbar/H]
Middle t: 125.6637 [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 ( 175, 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 3.95036945
Input: No Polarization defined and degrees of freedom defined
Input: Using default: x-polarized.
Input: [SpinComponents = unpolarized]
Info: Using Ground State for InitialState
Input: [SpinComponents = unpolarized]
Info: Using Excited State for TargetOperator
Info: Starting OCT iteration using scheme: WG05
Info: Initial forward propagation
Info: Forward propagating Psi
Info: Calculate overlap
=> overlap: 0.05878499
Info: Loop control
Info: Optimal control iteration # 0
=> J1: 0.05878 J: -9.81714 I: 1.97518 penalty: 5.00000
Info: Propagating backward
Info: FFT allocated with size ( 160001, 1, 1) in slot 2
Info: Applying filter
Adding filters from: 1to: 2
Info: FFT deallocated from slot 2
Info: Initial forward propagation
Info: Forward propagating Psi
Info: Calculate overlap
=> overlap: 0.24999764
Info: Loop control
Info: Optimal control iteration # 1
=> J1: 0.25000 J: 0.24314 I: 0.32000 penalty: 5.00000
Info: Propagating backward
Info: FFT allocated with size ( 160001, 1, 1) in slot 2
Info: Applying filter
Adding filters from: 1to: 2
Info: FFT deallocated from slot 2
Info: Initial forward propagation
Info: Forward propagating Psi
Info: Calculate overlap
=> overlap: 0.56898393
Info: Loop control
Info: Optimal control iteration # 2
=> J1: 0.56898 J: 0.55946 I: 0.32000 penalty: 0.02143
Info: Propagating backward
Info: FFT allocated with size ( 160001, 1, 1) in slot 2
Info: Applying filter
Adding filters from: 1to: 2
Info: FFT deallocated from slot 2
Info: Initial forward propagation
Info: Forward propagating Psi
Info: Calculate overlap
=> overlap: 0.54429628
Info: Loop control
Info: Optimal control iteration # 3
=> J1: 0.54430 J: 0.53287 I: 0.32000 penalty: 0.02977
Info: Propagating backward
Info: FFT allocated with size ( 160001, 1, 1) in slot 2
Info: Applying filter
Adding filters from: 1to: 2
Info: FFT deallocated from slot 2
Info: Initial forward propagation
Info: Forward propagating Psi
Info: Calculate overlap
=> overlap: 0.67957496
Info: Loop control
Info: Optimal control iteration # 4
=> J1: 0.67957 J: 0.66726 I: 0.32000 penalty: 0.03569
Info: Propagating backward
Info: FFT allocated with size ( 160001, 1, 1) in slot 2
Info: Applying filter
Adding filters from: 1to: 2
Info: FFT deallocated from slot 2
Info: Initial forward propagation
Info: Forward propagating Psi
Info: Calculate overlap
=> overlap: 0.95554436
Info: Loop control
Info: Maximum number of iterations reached
Info: Optimal control iteration # 5
=> J1: 0.95554 J: 0.94187 I: 0.32000 penalty: 0.03849
Info: Output States
Info: FFT deallocated from slot 1
Calculation ended on 2006/08/09 at 03:05:56
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