Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 32 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] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Fluo_Diff: Energy 8 [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 Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif ./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif into F2(HKL) list /tmp/fileqs4JHv cif2hkl -o /tmp/fileqs4JHv --mode XRA /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Opening input file '/tmp/fileqs4JHv' (Table_Read_Offset) Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Table from file '/tmp/fileqs4JHv' (block 1) is 106 x 6 (x=1:11), constant step. interpolation: linear '# TITLE Cr2 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Sample: Reading 106 rows from /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.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 106 reflections from file '/var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.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 Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif SampleF: Material Cr mass fractions: | 1e+02 %: Z= 24 Cr 52 [g/mol] 7.18 [g/cm3] SampleF: Material Cr M=52 [g/mol] density=7.18 [g/cm3] rho=0.0831519 [at/Angs-3] Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif Fluorescence: INFO: SampleF: found material Cr from file /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/9011598.cif *** TRACE end *** Save [Fluo_Diff] Detector: detector_diffraction_I=2.4295e+10 detector_diffraction_ERR=1.46849e+08 detector_diffraction_N=2.90584e+06 "diffraction.dat" Detector: xpad_I=2.96885e+10 xpad_ERR=1.67456e+08 xpad_N=3.59213e+06 "diffraction_2d.dat" Detector: detector_fluo_I=4.25833e+13 detector_fluo_ERR=3.99699e+10 detector_fluo_N=9.85602e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=4.19782e+13 emon_fluo_ERR=3.94986e+10 emon_fluo_N=1.27015e+06 "Fluorescence.dat" Detector: emon_Compton_I=3.01813e+08 emon_Compton_ERR=1.21558e+07 emon_Compton_N=792 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30566e+12 Compton=8.34654e+08 Rayleigh=1.51661e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30787e+12 Compton=8.33052e+08 Rayleigh=1.49162e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31402e+12 Compton=1.15794e+09 Rayleigh=1.44226e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30703e+12 Compton=6.51016e+08 Rayleigh=1.54005e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31455e+12 Compton=1.08112e+09 Rayleigh=1.57165e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31499e+12 Compton=6.88542e+08 Rayleigh=1.56875e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31312e+12 Compton=7.96392e+08 Rayleigh=1.4725e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31073e+12 Compton=6.93985e+08 Rayleigh=1.45431e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30553e+12 Compton=8.42896e+08 Rayleigh=1.48141e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.3223e+12 Compton=8.98029e+08 Rayleigh=1.59803e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.3194e+12 Compton=7.46173e+08 Rayleigh=1.42186e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31974e+12 Compton=7.97348e+08 Rayleigh=1.5039e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31556e+12 Compton=7.64814e+08 Rayleigh=1.37085e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.3252e+12 Compton=6.03425e+08 Rayleigh=1.43816e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31785e+12 Compton=1.1154e+09 Rayleigh=1.42761e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.29312e+12 Compton=1.104e+09 Rayleigh=1.54165e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.29893e+12 Compton=9.45913e+08 Rayleigh=1.46668e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.3106e+12 Compton=8.26818e+08 Rayleigh=1.50882e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.32061e+12 Compton=8.24454e+08 Rayleigh=1.49603e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30629e+12 Compton=6.83041e+08 Rayleigh=1.54735e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31241e+12 Compton=5.03264e+08 Rayleigh=1.50845e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31731e+12 Compton=8.31104e+08 Rayleigh=1.50577e+10 Detector: emon_Rayleigh_I=5.16575e+11 emon_Rayleigh_ERR=6.12005e+09 emon_Rayleigh_N=14421 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31735e+12 Compton=7.48158e+08 Rayleigh=1.46058e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30853e+12 Compton=8.4022e+08 Rayleigh=1.55219e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.32231e+12 Compton=1.1655e+09 Rayleigh=1.43037e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.30844e+12 Compton=4.69349e+08 Rayleigh=1.64371e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31325e+12 Compton=7.40307e+08 Rayleigh=1.60118e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.32041e+12 Compton=8.59315e+08 Rayleigh=1.44325e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31481e+12 Compton=3.87303e+08 Rayleigh=1.50643e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.29971e+12 Compton=7.57883e+08 Rayleigh=1.4802e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.31446e+12 Compton=6.91027e+08 Rayleigh=1.43179e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/9011598.cif-hemmerle-20231101-231115/data]. Time: 2 [s] SampleF: scattered intensity: fluo=1.29093e+12 Compton=9.48254e+08 Rayleigh=1.35426e+10