INFO: Using directory: "2" INFO: Using existing c-file: ./SOLEIL_PX2a.c INFO: Using existing binary: ./SOLEIL_PX2a.out INFO: === Simulation 'SOLEIL_PX2a' (/home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/SOLEIL_PX2a/SOLEIL_PX2a.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize [SOLEIL_PX2a] Initialize 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) Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Ir.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' 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' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' 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. 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. 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/adrenaline.lau' (Table_Read_Offset) Single_crystal: adrenaline.lau structure a=7.873 b=6.79 c=8.638 aa=90 bb=98.02 cc=90 V0=457.251 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Vc=457.251 [Angs] sigma_inc=2087.8 [barn] reflections=adrenaline.lau Direct space lattice orientation: a = [0 6.79 4.15768e-16] b = [0 0 7.873] c = [8.55352 6.0272e-16 -1.20516] Reciprocal space lattice orientation: a* = [-6.5205e-17 0.925359 0] b* = [0.112445 -4.88675e-17 0.798067] c* = [0.734573 0 0] Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 4194 reflections from file 'adrenaline.lau' Single_crystal: ./SOLEIL_PX2a.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Warning: failed tau search (sum=0.00150872, coh_refl=15.6661, j=2, tau_count=2). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=31.8518, coh_refl=43.1022, j=2, tau_count=2). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=0.00305395, coh_refl=43.1022, j=2, tau_count=2). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=7.42827e-06, coh_refl=43.1022, j=2, tau_count=2). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=9.07332e-08, coh_refl=43.1022, j=2, tau_count=2). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=0.0122535, coh_refl=43.1022, j=2, tau_count=2). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=48.7885, coh_refl=95.0697, j=1, tau_count=1). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=2.04703, coh_refl=95.0697, j=1, tau_count=1). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=78.0296, coh_refl=95.0697, j=1, tau_count=1). Using last reflection. Single_crystal: sample: Warning: failed tau search (sum=51.1164, coh_refl=95.0697, j=1, tau_count=1). Using last reflection. Trace ETA (16 MPI processes) 1.18333 [min] 15 % 20 % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** TRACE end *** Save [SOLEIL_PX2a] Detector: bragg_crystal_out_I=8.7171e+21 bragg_crystal_out_ERR=3.04616e+19 bragg_crystal_out_N=5e+07 "bragg_crystal_out.dat" Detector: vfm_location_I=8.71703e+21 vfm_location_ERR=3.04615e+19 vfm_location_N=4.99996e+07 "vfm_location_1719826429.x_y" Detector: vfm_takeoff_I=2.15555e+21 vfm_takeoff_ERR=1.51596e+19 vfm_takeoff_N=1.2442e+07 "vfm_takeoff_1719826429.x_y" Detector: hfm_location_I=8.71243e+21 hfm_location_ERR=3.04457e+19 hfm_location_N=4.99993e+07 "hfm_location_1719826429.x_y" Detector: hfm_takeoff_I=2.66603e+21 hfm_takeoff_ERR=1.68492e+19 hfm_takeoff_N=1.52911e+07 "hfm_takeoff_1719826429.x_y" Detector: sample_monitor_I=1.74016e+20 sample_monitor_ERR=4.30709e+18 sample_monitor_N=974578 "sample_monitor_1719826429.x_y" Detector: psd4pi_I=5.48677e+15 psd4pi_ERR=3.70879e+14 psd4pi_N=1.15346e+06 "psd4pi.dat" Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Detector: Eiger9M_I=2.06838e+15 Eiger9M_ERR=2.74249e+14 Eiger9M_N=206678 "Eiger9M.dat" Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.23333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.38333 [min] Single_crystal: sample: Error message was repeated 1719 times with absorbed photons/illegal tau search. INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/SOLEIL_PX2a/SOLEIL_PX2a.instr in dataset 2