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 Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (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: Energy 25 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. SampleF: Material Mo5PB2 mass fractions: | 4.1 %: Z= 5 B 10.8 [g/mol] 2.37 [g/cm3] | 5.8 %: Z= 15 P 31 [g/mol] 2.2 [g/cm3] | 90 %: Z= 42 Mo 96 [g/mol] 10.2 [g/cm3] SampleF: Material Mo5PB2 M=532.35 [g/mol] density=9.43447 [g/cm3] rho=0.0106726 [at/Angs-3] Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'Mo5PB2' (Open_File) [Fluo_Diff] Initialize Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (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 Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Error: Could not open input file 'Mo5PB2' (Open_File) Trace ETA 17 [s] % 61 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 61 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 64 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 64 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 64 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 64 Trace ETA 17 [s] % 61 Trace ETA 17 [s] % 64 Trace ETA 17 [s] % 62 Trace ETA 17 [s] % 63 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 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=1.64917e+10 detector_diffraction_ERR=1.65708e+08 detector_diffraction_N=11413 "diffraction.dat" Detector: xpad_I=2.28765e+10 xpad_ERR=1.95127e+08 xpad_N=15786 "diffraction_2d.dat" Detector: detector_fluo_I=1.34144e+13 detector_fluo_ERR=4.87492e+09 detector_fluo_N=8.99877e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=1.31939e+13 emon_fluo_ERR=4.70041e+09 emon_fluo_N=8.85996e+06 "Fluorescence.dat" Detector: emon_Compton_I=1.85009e+08 emon_Compton_ERR=1.52416e+06 emon_Compton_N=17610 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.1251e+11 Compton=8.12472e+08 Rayleigh=5.61751e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12191e+11 Compton=8.10382e+08 Rayleigh=5.76222e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.1212e+11 Compton=8.11559e+08 Rayleigh=5.74987e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12718e+11 Compton=8.40884e+08 Rayleigh=5.61084e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.11843e+11 Compton=8.37559e+08 Rayleigh=5.66683e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12738e+11 Compton=8.06233e+08 Rayleigh=5.4656e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12104e+11 Compton=8.55735e+08 Rayleigh=5.74816e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12076e+11 Compton=8.47366e+08 Rayleigh=5.6539e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12386e+11 Compton=8.37559e+08 Rayleigh=5.65415e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12615e+11 Compton=8.11429e+08 Rayleigh=5.6099e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12802e+11 Compton=8.09082e+08 Rayleigh=5.64378e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.11862e+11 Compton=8.29904e+08 Rayleigh=5.68521e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.1282e+11 Compton=8.16953e+08 Rayleigh=5.50588e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12311e+11 Compton=8.37246e+08 Rayleigh=5.60387e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12801e+11 Compton=7.76566e+08 Rayleigh=5.51741e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.1258e+11 Compton=8.26479e+08 Rayleigh=5.63011e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.1269e+11 Compton=8.84957e+08 Rayleigh=5.64585e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12074e+11 Compton=8.49678e+08 Rayleigh=5.8118e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12223e+11 Compton=8.2189e+08 Rayleigh=5.50695e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12551e+11 Compton=7.98224e+08 Rayleigh=5.62944e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.11961e+11 Compton=8.55503e+08 Rayleigh=5.69275e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12789e+11 Compton=7.69914e+08 Rayleigh=5.63438e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.1225e+11 Compton=8.43261e+08 Rayleigh=5.63948e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12793e+11 Compton=8.36077e+08 Rayleigh=5.5809e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12194e+11 Compton=7.78846e+08 Rayleigh=5.61353e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.11693e+11 Compton=8.26289e+08 Rayleigh=5.57367e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.11834e+11 Compton=8.07353e+08 Rayleigh=5.63091e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.13083e+11 Compton=8.28315e+08 Rayleigh=5.56616e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12597e+11 Compton=7.96194e+08 Rayleigh=5.61293e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12233e+11 Compton=8.29605e+08 Rayleigh=5.62317e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12261e+11 Compton=8.17759e+08 Rayleigh=5.65167e+09 Detector: emon_Rayleigh_I=2.20256e+11 emon_Rayleigh_ERR=1.29265e+09 emon_Rayleigh_N=121193 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081909/data]. Time: 17 [s] SampleF: scattered intensity: fluo=4.12552e+11 Compton=8.58212e+08 Rayleigh=5.78662e+09