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: Energy 7 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. SampleF: Material Fe3C mass fractions: | 6.7 %: Z= 6 C 12 [g/mol] 2 [g/cm3] | 93 %: Z= 26 Fe 55.9 [g/mol] 7.87 [g/cm3] [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) SampleF: Material Fe3C M=179.56 [g/mol] density=7.48111 [g/cm3] rho=0.0250904 [at/Angs-3] Error: Could not open input file 'Fe3C' (Open_File) [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 Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) Error: Could not open input file 'Fe3C' (Open_File) [Fluo_Diff] Initialize *** TRACE end *** Save [Fluo_Diff] Detector: detector_diffraction_I=1.13298e+07 detector_diffraction_ERR=192702 detector_diffraction_N=4658 "diffraction.dat" Detector: xpad_I=1.38515e+07 xpad_ERR=214271 xpad_N=6192 "diffraction_2d.dat" Detector: detector_fluo_I=2.36164e+12 detector_fluo_ERR=1.05931e+09 detector_fluo_N=8.99886e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=1.21365e+11 emon_fluo_ERR=1.81048e+08 emon_fluo_N=505518 "Fluorescence.dat" Detector: emon_Compton_I=8.9432e+08 emon_Compton_ERR=1.83215e+06 emon_Compton_N=317263 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.78593e+09 Compton=2.38752e+09 Rayleigh=6.13424e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.81401e+09 Compton=2.39749e+09 Rayleigh=6.13314e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.81464e+09 Compton=2.36707e+09 Rayleigh=6.13072e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.8198e+09 Compton=2.39143e+09 Rayleigh=6.13931e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.81355e+09 Compton=2.39711e+09 Rayleigh=6.12645e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.78035e+09 Compton=2.4e+09 Rayleigh=6.13531e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.77927e+09 Compton=2.3683e+09 Rayleigh=6.14018e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.76726e+09 Compton=2.36489e+09 Rayleigh=6.14473e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.85484e+09 Compton=2.38727e+09 Rayleigh=6.13218e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.79355e+09 Compton=2.39716e+09 Rayleigh=6.1461e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.80433e+09 Compton=2.39551e+09 Rayleigh=6.14209e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.79639e+09 Compton=2.38569e+09 Rayleigh=6.13236e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.76588e+09 Compton=2.38612e+09 Rayleigh=6.15332e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.79543e+09 Compton=2.36462e+09 Rayleigh=6.14395e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.83097e+09 Compton=2.38853e+09 Rayleigh=6.12848e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.81822e+09 Compton=2.37706e+09 Rayleigh=6.13487e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.8086e+09 Compton=2.34904e+09 Rayleigh=6.13002e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.76766e+09 Compton=2.41211e+09 Rayleigh=6.13528e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.74765e+09 Compton=2.39876e+09 Rayleigh=6.14379e+10 Detector: emon_Rayleigh_I=2.23938e+12 emon_Rayleigh_ERR=1.04373e+09 emon_Rayleigh_N=8.17608e+06 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.78325e+09 Compton=2.41589e+09 Rayleigh=6.13663e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.80219e+09 Compton=2.36296e+09 Rayleigh=6.13248e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.78923e+09 Compton=2.37397e+09 Rayleigh=6.13177e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.77373e+09 Compton=2.37439e+09 Rayleigh=6.13865e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.8071e+09 Compton=2.37864e+09 Rayleigh=6.13678e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.77445e+09 Compton=2.38317e+09 Rayleigh=6.14775e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.83184e+09 Compton=2.37445e+09 Rayleigh=6.12455e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.79621e+09 Compton=2.35007e+09 Rayleigh=6.13814e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.75747e+09 Compton=2.34318e+09 Rayleigh=6.14984e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.79007e+09 Compton=2.39672e+09 Rayleigh=6.15002e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.75081e+09 Compton=2.38677e+09 Rayleigh=6.13807e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.77906e+09 Compton=2.40881e+09 Rayleigh=6.1337e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe3C-tchommau-20250731-093433/data]. Time: 6 [s] SampleF: scattered intensity: fluo=3.78455e+09 Compton=2.34063e+09 Rayleigh=6.13625e+10