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' (/u/data/pkwi/TESTS/2025-12-12/ANTLR_openacc_mpi_x_7_1e7_Linux_1e7/templateNMX/templateNMX.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 8 GPU devices on rank 4. Will use device 4. Have found 8 GPU devices on rank 5. Will use device 5. Have found 8 GPU devices on rank 3. Will use device 3. Have found 8 GPU devices on rank 2. Will use device 2. Have found 8 GPU devices on rank 0. Will use device 0. Have found 8 GPU devices on rank 6. Will use device 6. Have found 8 GPU devices on rank 1. Will use device 1. [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rubredoxin.lau' (Table_Read_Offset) [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize 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 end *** Save [templateNMX] Finally [templateNMX: 1]. Time: 42 [s] Finally [templateNMX: 1]. Time: 42 [s] Finally [templateNMX: 1]. Time: 42 [s] Finally [templateNMX: 1]. Time: 42 [s] Detector: det_I=5579.25 det_ERR=2.18627 det_N=6.76328e+06 "psd.dat" Finally [templateNMX: 1]. Time: 42 [s] Finally [templateNMX: 1]. Time: 42 [s] Finally [templateNMX: 1]. Time: 42 [s] INFO: Placing instr file copy templateNMX.instr in dataset 1 INFO: Placing generated c-code copy templateNMX.c in dataset 1