loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_CPU_PGCC_MULTICORE_KISS/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./templateNMX.c INFO: Using existing binary: ./templateNMX.out WARNING: Ignoring invalid parameter: "templateNMX" INFO: === [templateNMX] Initialize Single_crystal: Rubredoxin.lau structure a=33.92 b=34.928 c=43.532 aa=90 bb=90 cc=90 V0=51574.9 Single_crystal: sample: Read 124956 reflections from file 'Rubredoxin.lau' Single_crystal: sample: Vc=51574.9 [Angs] sigma_abs=245.31 [barn] sigma_inc=817.57 [barn] reflections=Rubredoxin.lau *** TRACE end *** Save [templateNMX] Detector: det_I=5576.71 det_ERR=2.18573 det_N=6.76053e+06 "psd.dat" Finally [templateNMX: 1]. Time: 1.65 [min] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-11-01/McStas_CPU_PGCC_MULTICORE_KISS_1e7/templateNMX/templateNMX.instr in dataset 1