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: "2"
INFO: Using existing c-file: ./templateLaue.c
INFO: Using existing binary: ./templateLaue.out
WARNING: Ignoring invalid parameter: "templateLaue"
INFO: ===
Simulation 'templateLaue' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/templateLaue/templateLaue.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1).
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/leucine.lau' (Table_Read_Offset)
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
[templateLaue] Initialize
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Mode: lengths and angles
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
  c* = [0.655735 0 0]
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  c* = [0.655735 0 0]
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Direct space lattice orientation:
  a = [0 5.324 3.26001e-16]
  b = [0 0 14.66]
  c = [9.58189 6.29843e-16 -0.680115]
Reciprocal space lattice orientation:
  a* = [-7.75752e-17 1.18016 0]
  b* = [0.0304212 -2.62438e-17 0.428594]
  c* = [0.655735 0 0]

Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 14 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 79 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 14 [s] % 78 
Trace ETA 13 [s] % 78 
Trace ETA 13 [s] % 78 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 [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Save [templateLaue]

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 

Finally [templateLaue: 2]. Time: 13 [s] 
Detector: det_I=4.39749e+08 det_ERR=64064.6 det_N=4.73238e+07 "psd.dat"

Finally [templateLaue: 2]. Time: 14 [s] 
INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/templateLaue/templateLaue.instr in dataset 2