INFO: Using directory: "1" INFO: Using existing c-file: templateLaue.c INFO: Using existing binary: templateLaue.exe WARNING: Ignoring invalid parameter: "templateLaue" INFO: === Simulation 'templateLaue' (C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\templateLaue\\templateLaue.instr): running on 6 nodes (master is 'DTU-CZC004CRBZ.win.dtu.dk', MPI version 2.0). [templateLaue] Initialize Opening input file 'C:\mcstas-3.4.49\lib/data/YBaCuO.lau' (Table_Read_Offset) Mode: lengths and angles Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [0 3.886 2.37941e-016] b = [0 0 3.8186] c = [11.6777 7.15029e-016 7.15029e-016] Reciprocal space lattice orientation: a* = [-9.90019e-017 1.61688 0] b* = [-1.00749e-016 -1.00749e-016 1.64542] c* = [0.53805 0 0] [templateLaue] Initialize Mode: lengths and angles Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [0 3.886 2.37941e-016] b = [0 0 3.8186] c = [11.6777 7.15029e-016 7.15029e-016] Reciprocal space lattice orientation: a* = [-9.90019e-017 1.61688 0] b* = [-1.00749e-016 -1.00749e-016 1.64542] c* = [0.53805 0 0] [templateLaue] Initialize Mode: lengths and angles Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [0 3.886 2.37941e-016] b = [0 0 3.8186] c = [11.6777 7.15029e-016 7.15029e-016] Reciprocal space lattice orientation: a* = [-9.90019e-017 1.61688 0] b* = [-1.00749e-016 -1.00749e-016 1.64542] c* = [0.53805 0 0] [templateLaue] Initialize Mode: lengths and angles Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [0 3.886 2.37941e-016] b = [0 0 3.8186] c = [11.6777 7.15029e-016 7.15029e-016] Reciprocal space lattice orientation: a* = [-9.90019e-017 1.61688 0] b* = [-1.00749e-016 -1.00749e-016 1.64542] c* = [0.53805 0 0] [templateLaue] Initialize Mode: lengths and angles Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [0 3.886 2.37941e-016] b = [0 0 3.8186] c = [11.6777 7.15029e-016 7.15029e-016] Reciprocal space lattice orientation: a* = [-9.90019e-017 1.61688 0] b* = [-1.00749e-016 -1.00749e-016 1.64542] c* = [0.53805 0 0] [templateLaue] Initialize Mode: lengths and angles Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [0 3.886 2.37941e-016] b = [0 0 3.8186] c = [11.6777 7.15029e-016 7.15029e-016] Reciprocal space lattice orientation: a* = [-9.90019e-017 1.61688 0] b* = [-1.00749e-016 -1.00749e-016 1.64542] c* = [0.53805 0 0] Finally [templateLaue: 1]. Time: 2 [s] *** TRACE end *** Save [templateLaue] Detector: det_I=1.05038e+007 det_ERR=23444.1 det_N=4.73203e+006 "psd.dat" Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] INFO: Placing instr file copy C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\templateLaue\\templateLaue.instr in dataset 1