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/2023-12-20/McStas_CPU_MPICC_KISS_1e7/templateLaue/templateLaue.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.1). [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize [templateLaue] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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 2.37949e-16] b = [0 0 3.8186] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] Mode: lengths and angles Mode: lengths and angles 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: 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: 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 2.37949e-16] b = [0 0 3.8186] 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 2.37949e-16] b = [0 0 3.8186] c = [11.6777 7.15053e-16 7.15053e-16] a = [0 3.886 2.37949e-16] b = [0 0 3.8186] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] a* = [-9.90052e-17 1.61688 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] 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 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 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 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 2.37949e-16] 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 2.37949e-16] b = [0 0 3.8186] 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 2.37949e-16] b = [0 0 3.8186] 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 2.37949e-16] b = [0 0 3.8186] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] b = [0 0 3.8186] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] c = [11.6777 7.15053e-16 7.15053e-16] Reciprocal space lattice orientation: a* = [-9.90052e-17 1.61688 0] b* = [-1.00753e-16 -1.00753e-16 1.64542] c* = [0.53805 0 0] *** TRACE end *** Save [templateLaue] Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] Finally [templateLaue: 1]. Time: 2 [s] Detector: det_I=1.05413e+07 det_ERR=16628.4 det_N=9.46497e+06 "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] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/templateLaue/templateLaue.instr in dataset 1