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/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/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 Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset) [SOLEIL_PX2a] Initialize 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): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. 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): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. 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) reflectivity parameterization type: 'eth' 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/adrenaline.lau' (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) reflectivity parameterization type: 'eth' 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. 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: ./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: 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: 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: 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: ./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: ./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: 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: ERROR: Illegal tau search (sum=0.00150872, j=2, tau_count=2). Single_crystal: sample: ERROR: Illegal tau search (sum=31.8518, j=2, tau_count=2). Single_crystal: sample: ERROR: Illegal tau search (sum=0.00305395, j=2, tau_count=2). Single_crystal: sample: ERROR: Illegal tau search (sum=7.42827e-06, j=2, tau_count=2). Single_crystal: sample: ERROR: Illegal tau search (sum=9.07332e-08, j=2, tau_count=2). Single_crystal: sample: ERROR: Illegal tau search (sum=0.0122535, j=2, tau_count=2). Single_crystal: sample: ERROR: Illegal tau search (sum=48.7885, j=1, tau_count=1). Single_crystal: sample: ERROR: Illegal tau search (sum=2.04703, j=1, tau_count=1). Single_crystal: sample: ERROR: Illegal tau search (sum=78.0296, j=1, tau_count=1). Single_crystal: sample: ERROR: Illegal tau search (sum=51.1164, j=1, tau_count=1). Trace ETA 0 [s] % 1113 Trace ETA 0 [s] % 1213 Trace ETA 9 [s] % 113 Trace ETA 1 [s] % 613 Trace ETA 1.31667 [min] % 13 Trace ETA 2 [s] % 413 Trace ETA 0 [s] % 1513 Trace ETA 1 [s] % 813 Trace ETA 5 [s] % 213 Trace ETA 3 [s] % 313 Trace ETA 1 [s] % 713 Trace ETA 0 [s] % 1413 Trace ETA 1 [s] % 1013 Trace ETA 2 [s] % 513 Trace ETA 0 [s] % 1313 Trace ETA 1 [s] % 913 120 420 1420 820 1320 1120 20 1020 1520 320 1220 720 520 220 620 920 130 1430 430 830 1330 1130 30 1030 1530 330 1230 730 530 230 630 930 140 1440 440 840 1340 1140 40 1040 1540 1240 540 340 740 240 640 940 150 1450 450 850 1150 1350 50 1050 1550 350 1250 550 750 250 650 950 160 1460 460 860 1160 1360 1060 60 1560 1260 360 560 760 260 660 960 170 1470 470 870 1370 1170 1070 70 1570 1270 770 570 370 270 670 970 180 1480 480 880 1380 1180 1080 80 1580 1280 380 780 580 280 680 980 190 1490 490 890 1390 1190 90 1090 1590 1290 590 790 390 290 690 990 *** 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_1703049351.x_y" Detector: vfm_takeoff_I=2.15555e+21 vfm_takeoff_ERR=1.51596e+19 vfm_takeoff_N=1.2442e+07 "vfm_takeoff_1703049351.x_y" Detector: hfm_location_I=8.71243e+21 hfm_location_ERR=3.04457e+19 hfm_location_N=4.99993e+07 "hfm_location_1703049351.x_y" Detector: hfm_takeoff_I=2.66603e+21 hfm_takeoff_ERR=1.68492e+19 hfm_takeoff_N=1.52911e+07 "hfm_takeoff_1703049351.x_y" Detector: sample_monitor_I=1.74016e+20 sample_monitor_ERR=4.30709e+18 sample_monitor_N=974578 "sample_monitor_1703049351.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: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Detector: Eiger9M_I=2.06838e+15 Eiger9M_ERR=2.74249e+14 Eiger9M_N=206678 "Eiger9M.dat" Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.28333 [min] Finally [SOLEIL_PX2a: 2]. Time: 1.41667 [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/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/SOLEIL_PX2a/SOLEIL_PX2a.instr in dataset 2