INFO: Using directory: "1" INFO: Using existing c-file: ./Test_SX.c INFO: Using existing binary: ./Test_SX.out INFO: === Simulation 'Test_SX' (/home/nexmap/pkwi/xTESTS/2023-12-01/McXtrace_CPU_MPICC_KISS_5e7/Test_SX/Test_SX.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Mo.lau' (Table_Read_Offset) Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Vc=31.1667 [Angs] sigma_inc=0.08 [barn] reflections=Mo.lau Direct space lattice orientation: a = [0 3.147 1.92698e-16] b = [0 0 3.147] c = [3.147 1.92698e-16 0] Reciprocal space lattice orientation: Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 a* = [-1.22254e-16 1.99656 0] b* = [7.48591e-33 -1.22254e-16 1.99656] c* = [1.99656 0 0] Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' Single_crystal: ./Test_SX.c: Warning: material file NULL not found. Absorption set to 0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=2.16178e-08 l2=8.37715e-07 x=-4.99984e-05 y=0.000152214 z=-4.27469e-07 kx=0.000114392 ky=0.000115233 kz=2.60267 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=1.7037e-08 l2=2.68912e-06 x=-4.99822e-05 y=0.000356087 z=-1.35239e-06 kx=4.01673e-05 ky=0.000196431 kz=2.89533 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=2.62507e-08 l2=8.49653e-07 x=-4.99983e-05 y=0.000470505 z=-4.39502e-07 kx=-8.92811e-05 ky=0.000154198 kz=2.88066 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=3.10971e-08 l2=8.67592e-07 x=-4.99982e-05 y=6.59476e-05 z=-4.4977e-07 kx=-2.86028e-05 ky=-0.000116635 kz=3.35576 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=1.69545e-08 l2=2.09759e-06 x=4.99892e-05 y=-0.000102043 z=-1.05556e-06 kx=-0.000225139 ky=-5.27647e-05 kz=6.56675 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=2.46868e-08 l2=6.87866e-07 x=-4.99989e-05 y=-0.000425627 z=-3.54859e-07 kx=7.5855e-05 ky=-0.000195701 kz=2.67678 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=1.95663e-08 l2=2.20277e-06 x=-4.99881e-05 y=-2.20334e-05 z=-1.10992e-06 kx=9.76997e-05 ky=0.000104033 kz=3.90958 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=1.52078e-08 l2=7.27174e-07 x=4.99987e-05 y=-0.000332915 z=-3.70357e-07 kx=-0.000104957 ky=-0.000370817 kz=6.2933 order=0 Single_crystal: sample: Warning: photon has unexpectedly left the crystal! l1=3.18906e-08 l2=8.50519e-07 x=-4.99983e-05 y=-0.000340432 z=-4.43444e-07 kx=-0.000306072 ky=-0.000573707 kz=6.83533 order=0 *** TRACE end *** Detector: psd0_I=7.95775e-10 psd0_ERR=1.1254e-13 psd0_N=5e+07 "psd0.dat" Detector: psd4pi_I=7.9543e-10 psd4pi_ERR=1.1272e-12 psd4pi_N=5e+07 "psd4pi.dat" Single_crystal: sample: Error message was repeated 32 times with absorbed photons/illegal tau search. INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-01/McXtrace_CPU_MPICC_KISS_5e7/Test_SX/Test_SX.instr in dataset 1