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 20.5 [keV] [Fluo_Diff] Initialize
 
 
 
 
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.cif into F2(HKL) list /tmp/filedyUjI3
cif2hkl -o /tmp/filedyUjI3 --mode XRA /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.cif
Opening input file '/tmp/filedyUjI3' (Table_Read_Offset)
Fluorescence: INFO: SampleF: found material Mo2S4 from file /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.cif
Fluorescence: INFO: SampleF: found material Mo2S4 from file /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.cif
Table from file '/tmp/filedyUjI3' (block 1) is 14281 x 6 (x=-12:12), constant step. interpolation: linear
  '# TITLE  Mo1 Mo1 S1 S1 S1 S1 [Triclinic, Acentric];#        a         b     ...'
PowderN: Sample: Reading 14281 rows from /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.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.
Fluorescence: INFO: SampleF: found material Mo2S4 from file /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.cif
PowderN: Sample: Read 14281 reflections from file '/var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.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 Mo2S4 from file /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/Mo2S4.cif
SampleF: Material Mo2S4 mass fractions:
  |     40 %: Z= 16   S     32.1 [g/mol]        2 [g/cm3]
  |     60 %: Z= 42  Mo       96 [g/mol]     10.2 [g/cm3]
SampleF: Material Mo2S4 M=320.18 [g/mol] density=6.92666 [g/cm3] rho=0.0130281 [at/Angs-3]

Trace ETA 2 [min] % 9 
Trace ETA 1.98333 [min] % 9 
Trace ETA 1.98333 [min] % 9 
Trace ETA 2 [min] % 9 10 10 10 10 20 20 20 20 30 30 30 30 40 40 40 40 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=6.05708e+10 detector_diffraction_ERR=4.13635e+08 detector_diffraction_N=3.04049e+06 "diffraction.dat"
Detector: xpad_I=8.30118e+10 xpad_ERR=4.90371e+08 xpad_N=3.75962e+06 "diffraction_2d.dat"
Detector: detector_fluo_I=3.70374e+12 detector_fluo_ERR=3.56137e+09 detector_fluo_N=9.85589e+06 "Fluorescence_all.dat"
Detector: emon_fluo_I=3.61357e+12 emon_fluo_ERR=3.40295e+09 emon_fluo_N=1.26823e+06 "Fluorescence.dat"
Detector: emon_Compton_I=4.6368e+07 emon_Compton_ERR=1.21388e+06 emon_Compton_N=1804 "Compton.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/data]. Time: 1.96667 [min] 

Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/data]. Time: 1.96667 [min] 
Detector: emon_Rayleigh_I=6.60753e+10 emon_Rayleigh_ERR=1.04163e+09 emon_Rayleigh_N=14451 "Rayleigh.dat"

Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/data]. Time: 1.96667 [min] 
SampleF: scattered intensity: fluo=9.04688e+11 Compton=1.32389e+09 Rayleigh=1.01061e+10
SampleF: scattered intensity: fluo=9.02706e+11 Compton=1.2263e+09 Rayleigh=1.05103e+10
SampleF: scattered intensity: fluo=9.02842e+11 Compton=1.31521e+09 Rayleigh=1.01197e+10

Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo2S4.cif-com-rock-20231003-160651/data]. Time: 1.96667 [min] 
SampleF: scattered intensity: fluo=9.04523e+11 Compton=1.30167e+09 Rayleigh=1.01821e+10