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 Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (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 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (Open_File) Error: Could not open input file 'BaTiO3' (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: Energy 16.99 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. Error: Could not open input file 'BaTiO3' (Open_File) SampleF: Material BaTiO3 mass fractions: | 21 %: Z= 8 O 16 [g/mol] 0.00133 [g/cm3] | 21 %: Z= 22 Ti 47.9 [g/mol] 4.54 [g/cm3] | 59 %: Z= 56 Ba 137 [g/mol] 3.5 [g/cm3] SampleF: Material BaTiO3 M=233.26 [g/mol] density=2.99361 [g/cm3] rho=0.0077287 [at/Angs-3] Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 71 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 68 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 71 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 71 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 70 70 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 *** TRACE end *** Save [Fluo_Diff] Detector: detector_diffraction_I=3.41519e+07 detector_diffraction_ERR=3.62525e+06 detector_diffraction_N=1362 "diffraction.dat" Detector: xpad_I=4.27894e+07 xpad_ERR=4.11309e+06 xpad_N=1848 "diffraction_2d.dat" Detector: detector_fluo_I=3.91175e+12 detector_fluo_ERR=1.76416e+09 detector_fluo_N=8.9969e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=2.85297e+12 emon_fluo_ERR=1.11899e+09 emon_fluo_N=7.30984e+06 "Fluorescence.dat" Detector: emon_Compton_I=2.42408e+08 emon_Compton_ERR=907920 emon_Compton_N=91017 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92426e+10 Compton=1.10563e+09 Rayleigh=1.94027e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.91315e+10 Compton=1.0743e+09 Rayleigh=1.95565e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92429e+10 Compton=1.13035e+09 Rayleigh=1.96769e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92078e+10 Compton=1.11794e+09 Rayleigh=1.93303e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.91547e+10 Compton=1.08134e+09 Rayleigh=1.9577e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.93136e+10 Compton=1.09851e+09 Rayleigh=1.9378e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.93564e+10 Compton=1.09904e+09 Rayleigh=1.9523e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92349e+10 Compton=1.08166e+09 Rayleigh=1.95503e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.90259e+10 Compton=1.10938e+09 Rayleigh=1.95224e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92811e+10 Compton=1.0839e+09 Rayleigh=1.94472e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92569e+10 Compton=1.09667e+09 Rayleigh=1.94044e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.89766e+10 Compton=1.11576e+09 Rayleigh=1.94851e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92928e+10 Compton=1.0867e+09 Rayleigh=1.94407e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92052e+10 Compton=1.12166e+09 Rayleigh=1.94555e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.94001e+10 Compton=1.1437e+09 Rayleigh=1.93522e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92821e+10 Compton=1.12521e+09 Rayleigh=1.93389e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.91597e+10 Compton=1.14904e+09 Rayleigh=1.94614e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.91347e+10 Compton=1.10107e+09 Rayleigh=1.94178e+10 Detector: emon_Rayleigh_I=1.05854e+12 emon_Rayleigh_ERR=1.36386e+09 emon_Rayleigh_N=1.59605e+06 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.91588e+10 Compton=1.09729e+09 Rayleigh=1.94233e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92386e+10 Compton=1.12525e+09 Rayleigh=1.93239e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.90801e+10 Compton=1.103e+09 Rayleigh=1.95775e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92247e+10 Compton=1.10692e+09 Rayleigh=1.95066e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.9186e+10 Compton=1.09104e+09 Rayleigh=1.94027e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.90109e+10 Compton=1.14433e+09 Rayleigh=1.94291e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.90612e+10 Compton=1.15331e+09 Rayleigh=1.9416e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.91874e+10 Compton=1.11733e+09 Rayleigh=1.95357e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.93819e+10 Compton=1.08742e+09 Rayleigh=1.93955e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92109e+10 Compton=1.09998e+09 Rayleigh=1.93941e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.8916e+10 Compton=1.06938e+09 Rayleigh=1.95625e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92862e+10 Compton=1.10781e+09 Rayleigh=1.95729e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.92592e+10 Compton=1.16822e+09 Rayleigh=1.94442e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104205/data]. Time: 15 [s] SampleF: scattered intensity: fluo=8.90812e+10 Compton=1.1133e+09 Rayleigh=1.94514e+10