INFO: Using directory: "1" INFO: Using existing c-file: ./SOLEIL_MARS.c INFO: Using existing binary: ./SOLEIL_MARS.out INFO: === Simulation 'SOLEIL_MARS' (SOLEIL_MARS.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] SOLEIL_MARS: Energy 16.99 [keV] Mono Angle 10.9544 [deg] [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize [SOLEIL_MARS] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Pt.dat' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/FormFactors.txt' (Table_Read_Offset) Reusing input file 'Si.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Reusing input file 'Pt.dat' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear '# TITLE La1 B6 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Sample: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. INFO (reflectivity-lib) reflectivity parameterization type: 'eth' PowderN: Sample: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Fluorescence: INFO: SampleF: found material La1B6 from file LaB6_660b_AVID2.hkl SampleF: Material La1B6 mass fractions: | 32 %: Z= 5 B 10.8 [g/mol] 2.37 [g/cm3] | 68 %: Z= 57 La 139 [g/mol] 6.15 [g/cm3] SampleF: Material La1B6 M=203.78 [g/mol] density=4.94961 [g/cm3] rho=0.0146272 [at/Angs-3] *** TRACE end *** Save [SOLEIL_MARS] Detector: displaySourceLength_I=1.27028e+13 displaySourceLength_ERR=6.5735e+09 displaySourceLength_N=1e+07 "displaySourceLength_1745724091.E" Detector: displaySource_I=1.27028e+13 displaySource_ERR=6.5735e+09 displaySource_N=1e+07 "emon_psd1.dat" Detector: emon_dcm0_I=1.39122e+12 emon_dcm0_ERR=1.83828e+09 emon_dcm0_N=9.82583e+06 "emon_dcm0.dat" Detector: displayMono_I=1.39122e+12 displayMono_ERR=1.83828e+09 displayMono_N=9.82583e+06 "emon_psd.dat" Detector: displayMonoLength_I=1.39122e+12 displayMonoLength_ERR=1.83828e+09 displayMonoLength_N=9.82583e+06 "Output.E" Detector: emon_dcm1_I=6.19345e+11 emon_dcm1_ERR=1.27758e+09 emon_dcm1_N=1.52765e+06 "BeamMonitor2.dat" Detector: displaySlit2_I=5.9825e+11 displaySlit2_ERR=1.25558e+09 displaySlit2_N=1.47548e+06 "emon_psd3.dat" Detector: detector_diffraction_I=2.74642e+09 detector_diffraction_ERR=1.8324e+07 detector_diffraction_N=3.97271e+06 "detector_diffraction_1745724091.th" Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Finally [SOLEIL_MARS: 1]. Time: 6 [s] Detector: detector_fluo_I=4.57237e+10 detector_fluo_ERR=1.15266e+09 detector_fluo_N=14702 "detector_fluo_1745724091.E" Finally [SOLEIL_MARS: 1]. Time: 6 [s] INFO: SampleF: scattered intensity: fluo=6.75726e+09 Compton=9.53134e+07 Rayleigh=0 INFO: Placing instr file copy SOLEIL_MARS.instr in dataset 1 INFO: Placing generated c-code copy SOLEIL_MARS.c in dataset 1