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 Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Fluo_Diff: Energy 7 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. SampleF: Material Fe mass fractions: | 1e+02 %: Z= 26 Fe 55.9 [g/mol] 7.87 [g/cm3] SampleF: Material Fe M=55.85 [g/mol] density=7.874 [g/cm3] rho=0.084903 [at/Angs-3] [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (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 Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) Error: Could not open input file 'Fe' (Open_File) [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'Fe' (Open_File) *** TRACE end *** Save [Fluo_Diff] Detector: detector_diffraction_I=3.43289e+07 detector_diffraction_ERR=781671 detector_diffraction_N=4452 "diffraction.dat" Detector: xpad_I=4.33522e+07 xpad_ERR=1.08438e+06 xpad_N=6043 "diffraction_2d.dat" Detector: detector_fluo_I=7.39814e+12 detector_fluo_ERR=3.31226e+09 detector_fluo_N=8.99842e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=3.70331e+11 emon_fluo_ERR=5.77166e+08 emon_fluo_N=462923 "Fluorescence.dat" Detector: emon_Compton_I=2.7418e+09 emon_Compton_ERR=5.64507e+06 emon_Compton_N=310855 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16353e+10 Compton=7.5773e+09 Rayleigh=2.05663e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15383e+10 Compton=7.78115e+09 Rayleigh=2.05672e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15146e+10 Compton=7.63034e+09 Rayleigh=2.05644e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15408e+10 Compton=7.65852e+09 Rayleigh=2.05426e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15575e+10 Compton=7.73433e+09 Rayleigh=2.0595e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.1747e+10 Compton=7.70476e+09 Rayleigh=2.05369e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.17012e+10 Compton=7.75146e+09 Rayleigh=2.05256e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16794e+10 Compton=7.79578e+09 Rayleigh=2.05517e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16866e+10 Compton=7.90804e+09 Rayleigh=2.05462e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.13474e+10 Compton=7.85274e+09 Rayleigh=2.06042e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16978e+10 Compton=7.79323e+09 Rayleigh=2.05352e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16807e+10 Compton=7.67862e+09 Rayleigh=2.05423e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.17142e+10 Compton=7.76544e+09 Rayleigh=2.05569e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15819e+10 Compton=7.74214e+09 Rayleigh=2.05521e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15684e+10 Compton=7.75141e+09 Rayleigh=2.05777e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16271e+10 Compton=7.71836e+09 Rayleigh=2.05554e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14304e+10 Compton=7.72207e+09 Rayleigh=2.05857e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14887e+10 Compton=7.76874e+09 Rayleigh=2.05674e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15358e+10 Compton=7.86717e+09 Rayleigh=2.05654e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.17078e+10 Compton=7.68194e+09 Rayleigh=2.05654e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14764e+10 Compton=7.77728e+09 Rayleigh=2.05405e+11 Detector: emon_Rayleigh_I=7.02507e+12 emon_Rayleigh_ERR=3.26159e+09 emon_Rayleigh_N=8.22464e+06 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15621e+10 Compton=7.73722e+09 Rayleigh=2.0564e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15685e+10 Compton=7.79994e+09 Rayleigh=2.05479e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14974e+10 Compton=7.73866e+09 Rayleigh=2.05227e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16771e+10 Compton=7.74919e+09 Rayleigh=2.0541e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.16081e+10 Compton=7.84348e+09 Rayleigh=2.05561e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14734e+10 Compton=7.86572e+09 Rayleigh=2.0581e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14024e+10 Compton=7.79329e+09 Rayleigh=2.05609e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.14556e+10 Compton=7.88998e+09 Rayleigh=2.05567e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15814e+10 Compton=7.8939e+09 Rayleigh=2.05575e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15209e+10 Compton=7.78068e+09 Rayleigh=2.05572e+11 Finally [Fluo_Diff: /var/www/html/data/diffraction/Fe-tchommau-20250731-093516/data]. Time: 4 [s] SampleF: scattered intensity: fluo=1.15707e+10 Compton=7.79298e+09 Rayleigh=2.05944e+11