Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 32 nodes (master is 're-grades-01', 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] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Error: Could not open input file 'CsCl' (Open_File) Fluo_Diff: Energy 7.99 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. SampleF: Material CsCl mass fractions: | 21 %: Z= 17 Cl 35.5 [g/mol] 0.00299 [g/cm3] Error: Could not open input file 'CsCl' (Open_File) | 79 %: Z= 55 Cs 133 [g/mol] 1.87 [g/cm3] SampleF: Material CsCl M=168.37 [g/mol] density=1.47916 [g/cm3] rho=0.00529057 [at/Angs-3] Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 77 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=5.63749e+08 detector_diffraction_ERR=3.28262e+07 detector_diffraction_N=548 "diffraction.dat" Detector: xpad_I=7.51919e+08 xpad_ERR=3.76762e+07 xpad_N=761 "diffraction_2d.dat" Detector: detector_fluo_I=1.55608e+13 detector_fluo_ERR=5.74303e+09 detector_fluo_N=8.99166e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=1.34747e+13 emon_fluo_ERR=5.04698e+09 emon_fluo_N=8.01616e+06 "Fluorescence.dat" Detector: emon_Compton_I=1.43831e+08 emon_Compton_ERR=1.36241e+06 emon_Compton_N=15042 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21653e+11 Compton=8.70641e+08 Rayleigh=5.04362e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21419e+11 Compton=7.91145e+08 Rayleigh=5.00983e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.22262e+11 Compton=7.53797e+08 Rayleigh=5.05329e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.2155e+11 Compton=7.21708e+08 Rayleigh=5.05052e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21376e+11 Compton=8.1989e+08 Rayleigh=5.04167e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21099e+11 Compton=7.73662e+08 Rayleigh=5.05403e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.2053e+11 Compton=7.84812e+08 Rayleigh=5.14407e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.2217e+11 Compton=7.84233e+08 Rayleigh=5.01383e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.214e+11 Compton=7.64707e+08 Rayleigh=5.06443e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.20788e+11 Compton=8.15317e+08 Rayleigh=5.10508e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21482e+11 Compton=8.31016e+08 Rayleigh=5.02373e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.20712e+11 Compton=8.68132e+08 Rayleigh=5.14546e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21773e+11 Compton=8.07768e+08 Rayleigh=5.06763e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21523e+11 Compton=8.12794e+08 Rayleigh=5.01652e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21896e+11 Compton=7.17701e+08 Rayleigh=5.01994e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21981e+11 Compton=7.98204e+08 Rayleigh=5.0378e+10 Detector: emon_Rayleigh_I=2.086e+12 emon_Rayleigh_ERR=2.7405e+09 emon_Rayleigh_N=960453 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.22306e+11 Compton=7.75109e+08 Rayleigh=5.01383e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21875e+11 Compton=7.93745e+08 Rayleigh=5.03365e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.20317e+11 Compton=7.77973e+08 Rayleigh=5.06688e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21521e+11 Compton=8.08639e+08 Rayleigh=5.04742e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21507e+11 Compton=8.68881e+08 Rayleigh=5.01611e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21761e+11 Compton=8.02883e+08 Rayleigh=5.02825e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.2246e+11 Compton=7.86817e+08 Rayleigh=4.99355e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.2161e+11 Compton=7.42826e+08 Rayleigh=5.06592e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.22262e+11 Compton=7.4429e+08 Rayleigh=4.99418e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.22152e+11 Compton=8.28457e+08 Rayleigh=5.03616e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21493e+11 Compton=7.72735e+08 Rayleigh=5.01481e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21979e+11 Compton=7.92403e+08 Rayleigh=5.05366e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21589e+11 Compton=7.79589e+08 Rayleigh=5.08854e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.20948e+11 Compton=7.91026e+08 Rayleigh=5.03271e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21501e+11 Compton=7.6663e+08 Rayleigh=5.04732e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CsCl-hemmerle-20240924-090341/data]. Time: 14 [s] SampleF: scattered intensity: fluo=4.21269e+11 Compton=8.26857e+08 Rayleigh=5.08413e+10