loading system configuration
loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_8GPU/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: ===
Simulation 'templateNMX' (/home/nexmap/pkwi/TESTS/2023-04-01/McStas_8GPU_5e7/templateNMX/templateNMX.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1).
Have found 8 GPU devices on rank 1. Will use device 1.
Have found 8 GPU devices on rank 2. Will use device 2.
Have found 8 GPU devices on rank 3. Will use device 3.
Have found 8 GPU devices on rank 4. Will use device 4.
Have found 8 GPU devices on rank 6. Will use device 6.
Have found 8 GPU devices on rank 5. Will use device 5.
Have found 8 GPU devices on rank 0. Will use device 0.
[templateNMX] Initialize
[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/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
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
Mode: lengths and angles
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
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: Rubredoxin.lau structure a=33.92 b=34.928 c=43.532 aa=90 bb=90 cc=90 V0=51574.9
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
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]
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]
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]
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]
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]
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]
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: 6.5 [min] 

Finally [templateNMX: 1]. Time: 6.5 [min] 

Finally [templateNMX: 1]. Time: 6.5 [min] 

Finally [templateNMX: 1]. Time: 6.5 [min] 

Finally [templateNMX: 1]. Time: 6.5 [min] 

Detector: det_I=5575.93 det_ERR=0.977597 det_N=3.37974e+07 "psd.dat"
Finally [templateNMX: 1]. Time: 6.5 [min] 

Finally [templateNMX: 1]. Time: 6.5 [min] 
INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-04-01/McStas_8GPU_5e7/templateNMX/templateNMX.instr in dataset 1