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 Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rubredoxin.lau' (Table_Read_Offset) 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=5575.69 det_ERR=0.977637 det_N=3.37951e+07 "psd.dat" Finally [templateNMX: 1]. Time: 8.03333 [min] INFO: Placing instr file copy /zhome/89/0/38697/TESTS/2022-04-01/McStas_GPU_PGCC_TESLA_KISS_5e7/templateNMX/templateNMX.instr in dataset 1 loading system configuration loading override configuration from /zhome/89/0/38697/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_GPU_PGCC_TESLA_KISS/mccode_config.json