loading system configuration
loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas-2.x_CPU_MPICC/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/2023-12-20/McStas-2.x_CPU_MPICC_5e7/templateNMX/templateNMX.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1).
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
[templateNMX] Initialize
Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rubredoxin.lau' (Table_Read_Offset)
[templateNMX] Initialize
[templateNMX] Initialize
[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
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
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
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
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
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
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]
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]
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 ETA 16.85 [min] % 1 
Trace ETA 17.35 [min] % 1 
Trace ETA 16.85 [min] % 1 
Trace ETA 16.85 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.85 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 15.9 [min] % 1 
Trace ETA 16.3667 [min] % 1 
Trace ETA 16.3667 [min] % 1 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 40 40 40 40 40 40 40 40 40 40 40 40 40 40 40 40 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 60 60 60 60 60 60 60 60 60 60 60 60 60 60 60 60 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 
Finally [templateNMX: 1]. Time: 16.15 [min] 

Finally [templateNMX: 1]. Time: 16.15 [min] 

Finally [templateNMX: 1]. Time: 16.2 [min] 

Finally [templateNMX: 1]. Time: 16.2 [min] 

Finally [templateNMX: 1]. Time: 16.25 [min] 

Save [templateNMX]

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 

Finally [templateNMX: 1]. Time: 16.35 [min] 
Detector: det_I=5575.96 det_ERR=0.977849 det_N=3.37947e+07 "psd.dat"

Finally [templateNMX: 1]. Time: 16.35 [min] 
INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/templateNMX/templateNMX.instr in dataset 1