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/2023-12-19/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: 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 1.92698e-16] Reciprocal space lattice orientation: a* = [-1.22254e-16 1.99656 0] b* = [-1.22254e-16 -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: ./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 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: Read 1480 reflections from file 'Mo.lau' Single_crystal: sample: Read 1480 reflections from file 'Mo.lau' 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: ./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: ./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: ./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: ./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=10 l2=10 x=5.00001e-05 y=0.000456456 z=-6.87308e-10 kx=7.06851e-05 ky=0.000108798 kz=5.14218 order=0 *** TRACE end *** Detector: psd0_I=7.95775e-10 psd0_ERR=1.1254e-13 psd0_N=5e+07 "psd0.dat" Detector: psd4pi_I=7.95422e-10 psd4pi_ERR=1.1272e-12 psd4pi_N=5e+07 "psd4pi.dat" Single_crystal: sample: Error message was repeated 1 times with absorbed photons/illegal tau search. INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-19/McXtrace_CPU_MPICC_KISS_5e7/Test_SX/Test_SX.instr in dataset 1