INFO: Using directory: "1" INFO: Using existing c-file: ./templateNMX.c INFO: Using existing binary: ./templateNMX.out WARNING: Ignoring invalid parameter: "templateNMX" INFO: === Simulation 'templateNMX' (templateNMX.instr): running on 2 nodes (master is 'sjc20-cw715-56decdc7-cd41-4df3-9fe5-4d96d83bc84e-2E412DA75231.local', MPI version 3.1). [templateNMX] Initialize [templateNMX] Initialize Opening input file '/Users/runner/miniconda3/envs/mcstas/share/mcstas/resources/data/Rubredoxin.lau' (Table_Read_Offset) Mode: lengths and angles 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 Direct space lattice orientation: a = [0 34.928 2.13872e-15] b = [0 0 33.92] c = [43.532 2.66557e-15 2.66557e-15] Reciprocal space lattice orientation: a* = [-1.10151e-17 0.17989 0] b* = [-1.13424e-17 -1.13424e-17 0.185235] c* = [0.144335 0 0] Trace ETA (2 MPI processes) 37 [s] 29 % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** TRACE end *** Save [templateNMX] Detector: det_I=5580.45 det_ERR=6.91442 det_N=676567 "psd.dat" Finally [templateNMX: 1]. Time: 33 [s] Finally [templateNMX: 1]. Time: 33 [s] INFO: Placing instr file copy templateNMX.instr in dataset 1 INFO: Placing generated c-code copy templateNMX.c in dataset 1