INFO: Using directory: "6"
INFO: Using existing c-file: ./Test_PowderN.c
INFO: Using existing binary: ./Test_PowderN.out
WARNING: Ignoring invalid parameter: "Test_PowderN.instr"
INFO: ===
Simulation 'Test_PowderN' (/home/nexmap/pkwi/xTESTS/2023-11-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1).
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset)
Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: Pow: Reading 1453 rows from LaB6_660b_AVID2.hkl
PowderN: Pow: 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: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc!
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset)
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset)
Single_crystal: SX: Vc=71.8305 [Angs] sigma_inc=0 [barn] reflections=LaB6_660b_AVID2.hkl
Direct space lattice orientation:
  a = [0 4.1569 2.54537e-16]
  b = [0 0 4.1569]
  c = [4.1569 2.54537e-16 0]
Reciprocal space lattice orientation:
  a* = [-9.25531e-17 1.51151 0]
  b* = [5.66725e-33 -9.25531e-17 1.51151]
  c* = [1.51151 0 0]
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
[Test_PowderN] Initialize
Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305
Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'

Trace ETA 0 [s] % 1265 
Trace ETA 0 [s] % 1565 
Trace ETA 0 [s] % 1165 
Trace ETA 0 [s] % 1465 
Trace ETA 1 [s] % 865 
Trace ETA 6 [s] % 165 
Trace ETA 1 [s] % 965 
Trace ETA 2 [s] % 465 
Trace ETA 16 [s] % 65 
Trace ETA 3 [s] % 365 
Trace ETA 1 [s] % 1065 
Trace ETA 0 [s] % 1365 
Trace ETA 4 [s] % 265 
Trace ETA 1 [s] % 665 
Trace ETA 1 [s] % 765 
Trace ETA 1 [s] % 564 670 1270 1470 170 270 970 70 1070 1170 1570 1370 770 370 870 470 570 680 1280 1480 180 280 980 80 1080 1180 1580 1380 780 380 880 480 580 690 1290 1490 190 290 990 90 1090 1190 1590 1390 390 790 890 490 590 *** TRACE end *** 

Save [Test_PowderN]
Detector: Sph_mon_I=7.94331e-10 Sph_mon_ERR=4.66899e-14 Sph_mon_N=5e+08 "Sphere.dat"
Detector: detector2_I=7.88116e-10 detector2_ERR=4.66406e-14 detector2_N=4.55018e+08 "psd2.dat"

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 
Detector: det_angle_I=5.65852e-14 det_angle_ERR=2.42224e-16 det_angle_N=141204 "det_angle_1698816800.th"

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 

Finally [Test_PowderN: 6]. Time: 16 [s] 
INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-11-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr in dataset 6