INFO: Using directory: "7" INFO: Using existing c-file: Unittest_SPLIT_sample.c INFO: Using existing binary: Unittest_SPLIT_sample.exe INFO: === 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 2.47941e-016] b = [0 0 4.04932] c = [4.04932 2.47941e-016 2.47941e-016] Reciprocal space lattice orientation: a* = [-9.50089e-017 1.55166 0] b* = [-9.50089e-017 -9.50089e-017 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 2.47941e-016] b = [0 0 4.04932] c = [4.04932 2.47941e-016 2.47941e-016] Reciprocal space lattice orientation: a* = [-9.50089e-017 1.55166 0] b* = [-9.50089e-017 -9.50089e-017 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 2.47941e-016] b = [0 0 4.04932] c = [4.04932 2.47941e-016 2.47941e-016] Reciprocal space lattice orientation: a* = [-9.50089e-017 1.55166 0] b* = [-9.50089e-017 -9.50089e-017 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 2.47941e-016] b = [0 0 4.04932] c = [4.04932 2.47941e-016 2.47941e-016] Reciprocal space lattice orientation: a* = [-9.50089e-017 1.55166 0] b* = [-9.50089e-017 -9.50089e-017 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 2.47941e-016] b = [0 0 4.04932] c = [4.04932 2.47941e-016 2.47941e-016] Reciprocal space lattice orientation: a* = [-9.50089e-017 1.55166 0] b* = [-9.50089e-017 -9.50089e-017 1.55166] c* = [1.55166 0 0] Simulation 'Unittest_SPLIT_sample' (C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\Unittest_SPLIT_sample\\Unittest_SPLIT_sample.instr): running on 6 nodes (master is 'DTU-CZC004CRBZ.win.dtu.dk', MPI version 2.0). Incoherent: Incoh: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file 'C:\mcstas-3.4.49\lib/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 'C:\mcstas-3.4.49\lib/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 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 2.47941e-016] b = [0 0 4.04932] c = [4.04932 2.47941e-016 2.47941e-016] Reciprocal space lattice orientation: a* = [-9.50089e-017 1.55166 0] b* = [-9.50089e-017 -9.50089e-017 1.55166] c* = [1.55166 0 0] *** TRACE end *** Detector: PSD_I=0.999005 PSD_ERR=0.000446991 PSD_N=4.99503e+006 "splits.dat" Single_crystal: SX: Info: you may highly improve the computation efficiency by using SPLIT 9 COMPONENT SX=Single_crystal(order=1, ...) in the instrument description C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\Unittest_SPLIT_sample\\Unittest_SPLIT_sample.instr. INFO: Placing instr file copy C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\Unittest_SPLIT_sample\\Unittest_SPLIT_sample.instr in dataset 7