INFO: Using directory: "10"
INFO: Using existing c-file: ./Test_Powders.c
INFO: Using existing binary: ./Test_Powders.out
INFO: ===
Simulation 'Test_PowderN' (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 Al.cif into F2(HKL) list /tmp/filenus5rZ
cif2hkl -o /tmp/filenus5rZ --mode NUC Al.cif
Opening input file '/tmp/filenus5rZ' (Table_Read_Offset)
 
 
Table from file '/tmp/filenus5rZ' (block 1) is 149 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE   Al4 [Cubic, Centric (-1 at origin)];#        a         b          ...'
PowderN: Pow_PowderN: Reading 149 rows from Al.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 149 reflections from file 'Al.cif'
PowderN: Pow_PowderN: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_Powders.c: INFO: Converting Al.cif into F2(HKL) list /tmp/fileadjUIh
cif2hkl -o /tmp/fileadjUIh --xtal --mode NUC Al.cif
Opening input file '/tmp/fileadjUIh' (Table_Read_Offset)
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
Mode: lengths and angles
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Mode: lengths and angles
Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif'
Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif
Direct space lattice orientation:
  a = [0 4.0339 2.47005e-16]
  b = [0 0 4.0339]
  c = [4.0339 2.47005e-16 2.47005e-16]
Reciprocal space lattice orientation:
  a* = [-9.53752e-17 1.5576 0]
  b* = [-9.53752e-17 -9.53752e-17 1.5576]
  c* = [1.5576 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=1.00083e+08 Sph_mon_ERR=76216.6 Sph_mon_N=8.94409e+06 "Sphere.dat"
Detector: psd_mon_I=178616 psd_mon_ERR=3129.29 psd_mon_N=8329 "PSD.dat"

Finally [Test_PowderN: 10]. Time: 1 [s] 

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Finally [Test_PowderN: 10]. Time: 1 [s] 
INFO: Placing instr file copy Test_Powders.instr in dataset 10
INFO: Placing generated c-code copy Test_Powders.c in dataset 10