INFO: Using directory: "17"
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 LaMnO3.cif into F2(HKL) list /tmp/file4II349
cif2hkl -o /tmp/file4II349 --mode NUC LaMnO3.cif
Opening input file '/tmp/file4II349' (Table_Read_Offset)
 
Table from file '/tmp/file4II349' (block 1) is 8394 x 6 (x=0:22), constant step. interpolation: linear
  '# TITLE  La4 Mn4 O4 O8 [Orthorhombic, Centric (-1 at origin)];#        a    ...'
PowderN: Pow_PowderN: Reading 8394 rows from LaMnO3.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 8394 reflections from file 'LaMnO3.cif'
PowderN: Pow_PowderN: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_Powders.c: INFO: Converting LaMnO3.cif into F2(HKL) list /tmp/filexRZRGZ
cif2hkl -o /tmp/filexRZRGZ --xtal --mode NUC LaMnO3.cif
Opening input file '/tmp/filexRZRGZ' (Table_Read_Offset)
 
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Mode: lengths and angles
Single_crystal: LaMnO3.cif structure a=5.5367 b=5.7473 c=7.6929 aa=90 bb=90 cc=90 V0=244.796
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 0 0]
NCrystal: McStas sample component(s) are using version 3.9.7 of the NCrystal library.
Single_crystal: Pow_Single_crystal: Read 63390 reflections from file 'LaMnO3.cif'
Single_crystal: Pow_Single_crystal: Vc=244.796 [Angs] sigma_abs=89.0823 [barn] sigma_inc=6.14016 [barn] reflections=LaMnO3.cif
Direct space lattice orientation:
  a = [0 5.7473 3.51921e-16]
  b = [0 0 5.5367]
  c = [7.6929 4.71054e-16 4.71054e-16]
Reciprocal space lattice orientation:
  a* = [-6.69417e-17 1.09324 0]
  b* = [-6.9488e-17 -6.9488e-17 1.13482]
  c* = [0.816751 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=3.40563e+08 Sph_mon_ERR=230917 Sph_mon_N=2.33432e+06 "Sphere.dat"

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 

Finally [Test_PowderN: 17]. Time: 1 [s] 
Detector: psd_mon_I=196813 psd_mon_ERR=5635.72 psd_mon_N=1272 "PSD.dat"

Finally [Test_PowderN: 17]. Time: 1 [s] 
INFO: Placing instr file copy Test_Powders.instr in dataset 17
INFO: Placing generated c-code copy Test_Powders.c in dataset 17