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 16.99 [keV] [Fluo_Diff] Initialize
 
 
 
 
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif into F2(HKL) list /tmp/file0FPplS
cif2hkl -o /tmp/file0FPplS --mode XRA /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif
Fluorescence: INFO: SampleF: found material MnSi from file /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif
Fluorescence: INFO: SampleF: found material MnSi from file /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif
Fluorescence: INFO: SampleF: found material MnSi from file /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif
Table from file '/tmp/file0FPplS' (block 1) is 1132 x 6 (x=1:17), constant step. interpolation: linear
  '# TITLE  Mn4 Si4 [Cubic, Acentric];#        a         b         c       alp ...'
PowderN: Sample: Reading 1132 rows from /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.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 1132 reflections from file '/var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif'
PowderN: Sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc!
SampleF: Material MnSi mass fractions:
  |     34 %: Z= 14  Si     28.1 [g/mol]     2.33 [g/cm3]
  |     66 %: Z= 25  Mn     54.9 [g/mol]     7.44 [g/cm3]
SampleF: Material MnSi M=83.03 [g/mol] density=5.71123 [g/cm3] rho=0.0414234 [at/Angs-3]
Fluorescence: INFO: SampleF: found material MnSi from file /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/MnSi.cif

Trace ETA 23 [s] % 46 
Trace ETA 23 [s] % 46 
Trace ETA 23 [s] % 46 
Trace ETA 23 [s] % 47 50 50 50 50 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=2.21818e+07 detector_diffraction_ERR=2.15246e+06 detector_diffraction_N=3.01468e+06 "diffraction.dat"
Detector: xpad_I=3.02215e+07 xpad_ERR=4.1243e+06 xpad_N=3.72996e+06 "diffraction_2d.dat"
Detector: detector_fluo_I=2.45493e+12 detector_fluo_ERR=2.47139e+09 detector_fluo_N=9.8568e+06 "Fluorescence_all.dat"
Detector: emon_fluo_I=2.3426e+12 emon_fluo_ERR=2.23874e+09 emon_fluo_N=1.2311e+06 "Fluorescence.dat"
Detector: emon_Compton_I=2.40626e+08 emon_Compton_ERR=2.74304e+06 emon_Compton_N=9330 "Compton.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/data]. Time: 22 [s] 
SampleF: scattered intensity: fluo=5.86664e+11 Compton=4.45674e+09 Rayleigh=2.04401e+10

Finally [Fluo_Diff: /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/data]. Time: 22 [s] 
SampleF: scattered intensity: fluo=5.85735e+11 Compton=4.46799e+09 Rayleigh=2.05942e+10

Finally [Fluo_Diff: /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/data]. Time: 22 [s] 
SampleF: scattered intensity: fluo=5.84789e+11 Compton=4.32553e+09 Rayleigh=2.0589e+10
Detector: emon_Rayleigh_I=1.1204e+11 emon_Rayleigh_ERR=1.04683e+09 emon_Rayleigh_N=43227 "Rayleigh.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/MnSi.cif-farhie-20231006-134249/data]. Time: 22 [s] 
SampleF: scattered intensity: fluo=5.85536e+11 Compton=4.50681e+09 Rayleigh=2.0607e+10