loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas-2.x_CPU_MPICC/mccode_config.json INFO: Using directory: "3" INFO: Using existing c-file: ./Unittest_SPLIT_sample.c INFO: Using existing binary: ./Unittest_SPLIT_sample.out INFO: === Simulation 'Unittest_SPLIT_sample' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/Unittest_SPLIT_sample/Unittest_SPLIT_sample.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). Incoherent: Incoh: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Table from file 'Al.lau' (block 1) is 2204 x 7 (x=-8:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: Powder: Reading 2204 rows from Al.lau 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. PowderN: Powder: Read 2204 reflections from file 'Al.lau' PowderN: Powder: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] c* = [1.55166 0 0] Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: Mode: lengths and angles a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Mode: lengths and angles Single_crystal: Al.lau structure a=4.04932 b=4.04932 c=4.04932 aa=90 bb=90 cc=90 V0=66.3967 Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Single_crystal: SX: Read 2204 reflections from file 'Al.lau' Single_crystal: SX: Vc=66.3967 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.lau Direct space lattice orientation: a = [0 4.04932 2.47949e-16] b = [0 0 4.04932] c = [4.04932 2.47949e-16 2.47949e-16] Reciprocal space lattice orientation: a* = [-9.5012e-17 1.55166 0] b* = [-9.5012e-17 -9.5012e-17 1.55166] c* = [1.55166 0 0] Detector: PSD_I=100 PSD_ERR=0.00141421 PSD_N=5e+09 "splits.dat" INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/Unittest_SPLIT_sample/Unittest_SPLIT_sample.instr in dataset 3