Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 8 nodes (master is 're-grades-02', MPI version 3.1).
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize
 
 
 
 
 
 
 
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
 
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif into F2(HKL) list /tmp/fileUhzKfq
cif2hkl -o /tmp/fileUhzKfq --mode XRA /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
Opening input file '/tmp/fileUhzKfq' (Table_Read_Offset)
Table from file '/tmp/fileUhzKfq' (block 1) is 149 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE   Al4 [Cubic, Centric (-1 at origin)];#        a         b          ...'
PowderN: Sample: Reading 149 rows from /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.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 149 reflections from file '/var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif'
PowderN: Sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc!
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
SampleF: Material Al mass fractions:
  |  1e+02 %: Z= 13  Al       27 [g/mol]      2.7 [g/cm3]
SampleF: Material Al M=26.97 [g/mol] density=2.6989 [g/cm3] rho=0.0602638 [at/Angs-3]
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/Al.cif
*** TRACE end *** 

Save [Fluo_Diff]
Detector: detector_diffraction_I=2.2532e+09 detector_diffraction_ERR=3.9371e+06 detector_diffraction_N=3.11422e+06 "diffraction.dat"
Detector: xpad_I=2.75245e+09 xpad_ERR=4.35542e+06 xpad_N=3.84798e+06 "diffraction_2d.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.04766e+09 Compton=2.23751e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.08126e+09 Compton=2.2123e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.08096e+09 Compton=2.22353e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.06537e+09 Compton=2.25941e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.09751e+09 Compton=2.2459e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.05399e+09 Compton=2.23388e+09 Rayleigh=0
Detector: detector_fluo_I=4.87365e+10 detector_fluo_ERR=6.57606e+07 detector_fluo_N=669090 "fluorescence.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.11033e+09 Compton=2.23516e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230908-111950/data]. Time: 6 [s] 
SampleF: scattered intensity: fluo=6.06406e+09 Compton=2.19771e+09 Rayleigh=0