INFO: Using directory: "2" INFO: Using existing c-file: ./templateNMX.c INFO: Using existing binary: ./templateNMX.out WARNING: Ignoring invalid parameter: "templateNMX" INFO: === Simulation 'templateNMX' (/home/nexmap/pkwi/TESTS/2022-04-01/McStas_8GPU_5e7/templateNMX/templateNMX.instr): running on 8 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 1 GPU devices on rank 7. Will use device 0. Have found 1 GPU devices on rank 3. Will use device 0. Have found 1 GPU devices on rank 5. Will use device 0. Have found 1 GPU devices on rank 1. Will use device 0. Have found 1 GPU devices on rank 2. Will use device 0. Have found 1 GPU devices on rank 0. Will use device 0. [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/PPase_D_P1.lau' (Table_Read_Offset) Have found 1 GPU devices on rank 4. Will use device 0. [templateNMX] Initialize Have found 1 GPU devices on rank 6. Will use device 0. [templateNMX] Initialize Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau *** TRACE end *** Save [templateNMX] Finally [templateNMX: 2]. Time: 32.6667 [min] Finally [templateNMX: 2]. Time: 32.6667 [min] Finally [templateNMX: 2]. Time: 32.6667 [min] Finally [templateNMX: 2]. Time: 32.6667 [min] Finally [templateNMX: 2]. Time: 32.6667 [min] Finally [templateNMX: 2]. Time: 32.6667 [min] Finally [templateNMX: 2]. Time: 32.6667 [min] Detector: det_I=29.6027 det_ERR=0.0218065 det_N=3.32677e+07 "psd.dat" Finally [templateNMX: 2]. Time: 32.6667 [min] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-04-01/McStas_8GPU_5e7/templateNMX/templateNMX.instr in dataset 2 loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_8GPU/mccode_config.json