INFO: Using directory: "21"
INFO: Using existing c-file: ./Test_Powders.c
INFO: Using existing binary: ./Test_Powders.out
INFO: ===
Simulation 'Test_PowderN' (/home/nexmap/pkwi/TESTS/2024-12-22/ANTLR_mpi_x_16_1e7_Linux_1e7/Test_Powders/Test_Powders.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1).
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_Powders.c: INFO: Converting NaCl.cif into F2(HKL) list /tmp/fileOu6SaD
cif2hkl -o /tmp/fileOu6SaD --mode NUC NaCl.cif
Opening input file '/tmp/fileOu6SaD' (Table_Read_Offset)
 
Table from file '/tmp/fileOu6SaD' (block 1) is 353 x 6 (x=1:22), constant step. interpolation: linear
  '# TITLE  Na4 Cl4 [Cubic, Centric (-1 at origin)];#        a         b       ...'
PowderN: Pow_PowderN: Reading 353 rows from NaCl.cif
PowderN: Pow_PowderN: Powder file probably of type Crystallographica/Fullprof (lau)
WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high.
PowderN: Pow_PowderN: Read 353 reflections from file 'NaCl.cif'
PowderN: Pow_PowderN: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_Powders.c: INFO: Converting NaCl.cif into F2(HKL) list /tmp/file22l1Iy
cif2hkl -o /tmp/file22l1Iy --xtal --mode NUC NaCl.cif
Opening input file '/tmp/file22l1Iy' (Table_Read_Offset)
 
 
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Mode: lengths and angles
Single_crystal: NaCl.cif structure a=5.62 b=5.62 c=5.62 aa=90 bb=90 cc=90 V0=177.504
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 11934 reflections from file 'NaCl.cif'
Single_crystal: Pow_Single_crystal: Vc=177.504 [Angs] sigma_abs=136.12 [barn] sigma_inc=27.6783 [barn] reflections=NaCl.cif
Direct space lattice orientation:
  a = [0 5.62 3.44126e-16]
  b = [0 0 5.62]
  c = [5.62 3.44126e-16 3.44126e-16]
Reciprocal space lattice orientation:
  a* = [-6.8458e-17 1.118 0]
  b* = [-6.8458e-17 -6.8458e-17 1.118]
  c* = [1.118 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
*** TRACE end *** 

Save [Test_PowderN]
Detector: Sph_mon_I=2.49834e+08 Sph_mon_ERR=124519 Sph_mon_N=8.94485e+06 "Sphere.dat"

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 
Detector: psd_mon_I=369577 psd_mon_ERR=5093.57 psd_mon_N=8042 "PSD.dat"

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 

Finally [Test_PowderN: 21]. Time: 2 [s] 
INFO: Placing instr file copy Test_Powders.instr in dataset 21
INFO: Placing generated c-code copy Test_Powders.c in dataset 21