INFO: Using directory: "1" INFO: Using existing c-file: ./SOLEIL_DIFFABS.c INFO: Using existing binary: ./SOLEIL_DIFFABS.out INFO: === Simulation 'SOLEIL_DIFFABS' (/home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/SOLEIL_DIFFABS/SOLEIL_DIFFABS.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). SOLEIL_DIFFABS: E0=13 [keV] M1_angle=3 [mrad] 0.171887 [deg] SOLEIL_DIFFABS: Monochromator theta=8.65136 [deg] [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize [SOLEIL_DIFFABS] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Rh.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset) 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): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Reusing input file 'Rh.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl 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: powder: Reading 1453 rows from LaB6_660b_AVID2.hkl PowderN: powder: 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. Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl PowderN: powder: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' PowderN: powder: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc! Fluorescence: INFO: fluo: found material La1B6 from file LaB6_660b_AVID2.hkl fluo: 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] fluo: Material La1B6 M=203.78 [g/mol] density=4.94961 [g/cm3] rho=0.0146272 [at/Angs-3] Trace ETA (16 MPI processes) 36 [s] % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** TRACE end *** Save [SOLEIL_DIFFABS] Detector: DCM_in_I=5.59856e+13 DCM_in_ERR=8.2706e+09 DCM_in_N=4.58597e+07 "DCM_in_1719825892.x_y" Detector: DCM_in_div_I=5.59855e+13 DCM_in_div_ERR=8.2706e+09 DCM_in_div_N=4.58597e+07 "DCM_in_div_1719825892.hd_vd" Detector: DCM_out_I=3.12356e+10 DCM_out_ERR=1.7759e+08 DCM_out_N=4.58597e+07 "DCM_out_1719825892.x_y" Detector: DCM_out_div_I=3.12356e+10 DCM_out_div_ERR=1.7759e+08 DCM_out_div_N=4.58597e+07 "DCM_out_div_1719825892.hd_vd" Detector: DCM_out_e_I=3.12356e+10 DCM_out_e_ERR=1.7759e+08 DCM_out_e_N=4.58597e+07 "DCM_out_e_1719825892.E" Detector: sample_stage_I=2.29189e+10 sample_stage_ERR=1.49744e+08 sample_stage_N=3.45164e+07 "sample_stage_1719825892.x_y" Detector: fluo_monitor_I=1.06277e+07 fluo_monitor_ERR=463159 fluo_monitor_N=5.42039e+07 "fluo_monitor_1719825892.E" Detector: det_angle_I=1.46463e+06 det_angle_ERR=57599.3 det_angle_N=3.66986e+06 "det_angle_1719825892.th" Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] fluo: scattered intensity: fluo=1.06004e+07 Compton=42137.5 Rayleigh=1.72045e+06 Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Detector: xpad_I=1.50959e+06 xpad_ERR=44969.7 xpad_N=1.40024e+07 "xpad_1719825892.th_y" Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] fluo: scattered intensity: fluo=9.66155e+06 Compton=464.314 Rayleigh=1.92607e+06 Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] fluo: scattered intensity: fluo=1.1321e+07 Compton=22211.2 Rayleigh=1.32252e+06 Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] fluo: scattered intensity: fluo=9.53928e+06 Compton=65695.1 Rayleigh=1.7395e+06 fluo: scattered intensity: fluo=8.94356e+06 Compton=19838.5 Rayleigh=1.03619e+06 fluo: scattered intensity: fluo=1.0072e+07 Compton=181078 Rayleigh=1.79189e+06 fluo: scattered intensity: fluo=1.1264e+07 Compton=63324.2 Rayleigh=2.38356e+06 fluo: scattered intensity: fluo=1.10014e+07 Compton=109160 Rayleigh=2.12131e+06 fluo: scattered intensity: fluo=1.15561e+07 Compton=22197.2 Rayleigh=2.43793e+06 fluo: scattered intensity: fluo=1.06583e+07 Compton=20248.1 Rayleigh=2.09132e+06 fluo: scattered intensity: fluo=9.31534e+06 Compton=51397.6 Rayleigh=1.80423e+06 fluo: scattered intensity: fluo=1.36693e+07 Compton=4494.2 Rayleigh=1.59193e+06 fluo: scattered intensity: fluo=1.22074e+07 Compton=18542.3 Rayleigh=1.22671e+06 fluo: scattered intensity: fluo=1.10677e+07 Compton=42070.5 Rayleigh=1.90664e+06 fluo: scattered intensity: fluo=8.67818e+06 Compton=45360.6 Rayleigh=904292 Finally [SOLEIL_DIFFABS: 1]. Time: 36 [s] fluo: scattered intensity: fluo=9.39531e+06 Compton=412767 Rayleigh=1.26727e+06 INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/SOLEIL_DIFFABS/SOLEIL_DIFFABS.instr in dataset 1