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 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] 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 25 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. [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) 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) 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] Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 67 Trace ETA 16 [s] % 65 Trace ETA 17 [s] % 64 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 67 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 67 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=1.65293e+10 detector_diffraction_ERR=1.66223e+08 detector_diffraction_N=11341 "diffraction.dat" Detector: xpad_I=2.27605e+10 xpad_ERR=1.95141e+08 xpad_N=15621 "diffraction_2d.dat" Detector: detector_fluo_I=1.34131e+13 detector_fluo_ERR=4.87642e+09 detector_fluo_N=8.99768e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=1.31921e+13 emon_fluo_ERR=4.70005e+09 emon_fluo_N=8.85878e+06 "Fluorescence.dat" Detector: emon_Compton_I=1.87084e+08 emon_Compton_ERR=1.53041e+06 emon_Compton_N=17871 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12664e+11 Compton=8.0477e+08 Rayleigh=5.5777e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12093e+11 Compton=7.90101e+08 Rayleigh=5.74375e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11871e+11 Compton=8.65174e+08 Rayleigh=5.67369e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11674e+11 Compton=8.5489e+08 Rayleigh=5.66152e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12803e+11 Compton=9.01267e+08 Rayleigh=5.58346e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.13069e+11 Compton=8.05245e+08 Rayleigh=5.37888e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.13129e+11 Compton=8.54974e+08 Rayleigh=5.66636e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11852e+11 Compton=8.76348e+08 Rayleigh=5.68056e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12126e+11 Compton=7.92383e+08 Rayleigh=5.60399e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12588e+11 Compton=8.64667e+08 Rayleigh=5.73705e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12693e+11 Compton=8.11494e+08 Rayleigh=5.55507e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12716e+11 Compton=8.34896e+08 Rayleigh=5.64982e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12536e+11 Compton=8.45356e+08 Rayleigh=5.61775e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12532e+11 Compton=8.26582e+08 Rayleigh=5.66839e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12642e+11 Compton=9.00607e+08 Rayleigh=5.61583e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11743e+11 Compton=8.15105e+08 Rayleigh=5.77871e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12603e+11 Compton=8.20961e+08 Rayleigh=5.64149e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12016e+11 Compton=7.93785e+08 Rayleigh=5.55587e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12507e+11 Compton=8.16089e+08 Rayleigh=5.6443e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.1221e+11 Compton=7.88668e+08 Rayleigh=5.60144e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12269e+11 Compton=8.4785e+08 Rayleigh=5.7643e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.1288e+11 Compton=8.78582e+08 Rayleigh=5.41545e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11722e+11 Compton=8.2612e+08 Rayleigh=5.7409e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11454e+11 Compton=8.40202e+08 Rayleigh=5.7145e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12365e+11 Compton=7.65097e+08 Rayleigh=5.65741e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12209e+11 Compton=8.81852e+08 Rayleigh=5.60911e+09 Detector: emon_Rayleigh_I=2.20785e+11 emon_Rayleigh_ERR=1.29963e+09 emon_Rayleigh_N=121037 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12529e+11 Compton=8.3568e+08 Rayleigh=5.5417e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12116e+11 Compton=8.90685e+08 Rayleigh=5.59433e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12101e+11 Compton=7.68906e+08 Rayleigh=5.60364e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12275e+11 Compton=8.21497e+08 Rayleigh=5.45655e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.12656e+11 Compton=8.26056e+08 Rayleigh=5.64778e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-083726/data]. Time: 16 [s] SampleF: scattered intensity: fluo=4.11746e+11 Compton=8.21041e+08 Rayleigh=5.78519e+09