Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 8 nodes (master is 're-grades-02', MPI version 3.1).
[Fluo_Diff] Initialize
Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
 
 
 
 
 
 
 
 
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif into F2(HKL) list /tmp/filef5aL2L
cif2hkl -o /tmp/filef5aL2L --mode XRA /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/Al.cif
Table from file '/tmp/filef5aL2L' (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-20230906-180014/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-20230906-180014/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-20230906-180014/Al.cif
Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/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-20230906-180014/Al.cif
*** TRACE end *** 

Save [Fluo_Diff]
Detector: detector_diffraction_I=2.25329e+09 detector_diffraction_ERR=3.93304e+06 detector_diffraction_N=3.11492e+06 "diffraction.dat"
Detector: xpad_I=2.76295e+09 xpad_ERR=4.3682e+06 xpad_N=3.8487e+06 "diffraction_2d.dat"
Detector: detector_fluo_I=4.8601e+10 detector_fluo_ERR=6.56702e+07 detector_fluo_N=666746 "fluorescence.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.04865e+09 Compton=2.22623e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.08028e+09 Compton=2.22185e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.08646e+09 Compton=2.19885e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.01409e+09 Compton=2.20594e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.05902e+09 Compton=2.19823e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.04167e+09 Compton=2.22293e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.06969e+09 Compton=2.22759e+09 Rayleigh=0

Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20230906-180014/data]. Time: 5 [s] 
SampleF: scattered intensity: fluo=6.06804e+09 Compton=2.21377e+09 Rayleigh=0