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: "1" INFO: Using existing c-file: ./templateLaue.c INFO: Using existing binary: ./templateLaue.out WARNING: Ignoring invalid parameter: "templateLaue" INFO: === Simulation 'templateLaue' (/home/nexmap/pkwi/TESTS/2022-11-01/McStas-2.x_CPU_MPICC_5e7/templateLaue/templateLaue.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/YBaCuO.lau' (Table_Read_Offset) [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize 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: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 [templateLaue] Initialize 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 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 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 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: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 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 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: 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 Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau 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 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: 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 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 Single_crystal: sample: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau 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 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: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 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 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: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau 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 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 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 Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Save [templateLaue] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Finally [templateLaue: 1]. Time: 4 [s] Detector: det_I=1.05459e+07 det_ERR=7437.98 det_N=4.73245e+07 "psd.dat" Finally [templateLaue: 1]. Time: 4 [s] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-11-01/McStas-2.x_CPU_MPICC_5e7/templateLaue/templateLaue.instr in dataset 1