Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 4 nodes (master is 're-grades-02', MPI version 3.1).
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
Fluo_Diff: Energy 19.99 [keV] [Fluo_Diff] Initialize
 
 
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif into F2(HKL) list /tmp/filekS9VrT
cif2hkl -o /tmp/filekS9VrT --mode XRA /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif
 
Fluorescence: INFO: SampleF: found material LaB6 from file /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif
 
Table from file '/tmp/filekS9VrT' (block 1) is 543 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: Sample: Reading 543 rows from /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif
PowderN: Sample: 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: Sample: Read 543 reflections from file '/var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif'
PowderN: Sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc!
SampleF: Material LaB6 mass fractions:
  |     32 %: Z=  5   B     10.8 [g/mol]     2.37 [g/cm3]
  |     68 %: Z= 57  La      139 [g/mol]     6.15 [g/cm3]
SampleF: Material LaB6 M=203.78 [g/mol] density=4.94961 [g/cm3] rho=0.0146272 [at/Angs-3]
Fluorescence: INFO: SampleF: found material LaB6 from file /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif
Fluorescence: INFO: SampleF: found material LaB6 from file /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif
Fluorescence: INFO: SampleF: found material LaB6 from file /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/LaB6.cif

Trace ETA 19 [s] % 55 
Trace ETA 19 [s] % 55 
Trace ETA 19 [s] % 55 
Trace ETA 19 [s] % 55 60 60 60 60 70 70 70 70 80 80 80 80 90 90 90 90 *** TRACE end *** 

Save [Fluo_Diff]
Detector: detector_diffraction_I=1.21756e+10 detector_diffraction_ERR=2.75109e+07 detector_diffraction_N=3.04444e+06 "diffraction.dat"
Detector: xpad_I=1.48629e+10 xpad_ERR=3.04683e+07 xpad_N=3.76109e+06 "diffraction_2d.dat"
Detector: detector_fluo_I=4.80681e+11 detector_fluo_ERR=6.03943e+08 detector_fluo_N=9.85747e+06 "Fluorescence_all.dat"
Detector: emon_fluo_I=2.42472e+11 emon_fluo_ERR=2.84521e+08 emon_fluo_N=816623 "Fluorescence.dat"
Detector: emon_Compton_I=5.35821e+07 emon_Compton_ERR=356656 emon_Compton_N=28079 "Compton.dat"
Detector: emon_Rayleigh_I=2.06764e+11 emon_Rayleigh_ERR=5.30938e+08 emon_Rayleigh_N=439498 "Rayleigh.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/data]. Time: 19 [s] 
SampleF: scattered intensity: fluo=6.05562e+10 Compton=2.09431e+09 Rayleigh=3.27816e+10

Finally [Fluo_Diff: /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/data]. Time: 19 [s] 
SampleF: scattered intensity: fluo=6.09121e+10 Compton=2.07058e+09 Rayleigh=3.25847e+10

Finally [Fluo_Diff: /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/data]. Time: 19 [s] 
SampleF: scattered intensity: fluo=6.06844e+10 Compton=2.10996e+09 Rayleigh=3.25218e+10

Finally [Fluo_Diff: /var/www/html/data/diffraction/LaB6.cif-reguer-20231003-114650/data]. Time: 19 [s] 
SampleF: scattered intensity: fluo=6.04163e+10 Compton=2.05627e+09 Rayleigh=3.26528e+10