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 [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) 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: Energy 16.99 [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] [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) [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 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) 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 13 [s] % 82 Trace ETA 13 [s] % 81 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 81 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 81 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 81 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 81 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 Trace ETA 13 [s] % 82 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=6.35234e+06 detector_diffraction_ERR=557023 detector_diffraction_N=5227 "diffraction.dat" Detector: xpad_I=8.98005e+06 xpad_ERR=757818 xpad_N=7051 "diffraction_2d.dat" Detector: detector_fluo_I=1.31185e+12 detector_fluo_ERR=6.67497e+08 detector_fluo_N=9.00001e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=5.19678e+11 emon_fluo_ERR=2.83038e+08 emon_fluo_N=3.79137e+06 "Fluorescence.dat" Detector: emon_Compton_I=3.46768e+08 emon_Compton_ERR=641104 emon_Compton_N=360534 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.6264e+10 Compton=1.55358e+09 Rayleigh=2.07991e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.63259e+10 Compton=1.54615e+09 Rayleigh=2.07264e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62336e+10 Compton=1.53444e+09 Rayleigh=2.07624e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62694e+10 Compton=1.54365e+09 Rayleigh=2.07495e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62438e+10 Compton=1.55626e+09 Rayleigh=2.08188e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62434e+10 Compton=1.5474e+09 Rayleigh=2.0735e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.61619e+10 Compton=1.53854e+09 Rayleigh=2.08176e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.61906e+10 Compton=1.56258e+09 Rayleigh=2.07482e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62531e+10 Compton=1.5327e+09 Rayleigh=2.07246e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.61593e+10 Compton=1.54868e+09 Rayleigh=2.07831e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.628e+10 Compton=1.5423e+09 Rayleigh=2.07548e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.61616e+10 Compton=1.55179e+09 Rayleigh=2.0858e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62144e+10 Compton=1.5627e+09 Rayleigh=2.07627e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62659e+10 Compton=1.52793e+09 Rayleigh=2.07185e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62858e+10 Compton=1.53004e+09 Rayleigh=2.07547e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62646e+10 Compton=1.52926e+09 Rayleigh=2.07512e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62452e+10 Compton=1.5435e+09 Rayleigh=2.08091e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.6233e+10 Compton=1.5539e+09 Rayleigh=2.07933e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62989e+10 Compton=1.53096e+09 Rayleigh=2.07327e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62696e+10 Compton=1.56183e+09 Rayleigh=2.07516e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62792e+10 Compton=1.52828e+09 Rayleigh=2.07363e+10 Detector: emon_Rayleigh_I=7.91825e+11 emon_Rayleigh_ERR=6.04517e+08 emon_Rayleigh_N=4.8481e+06 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.63064e+10 Compton=1.5485e+09 Rayleigh=2.0795e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62747e+10 Compton=1.51485e+09 Rayleigh=2.07583e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62395e+10 Compton=1.54015e+09 Rayleigh=2.07894e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62227e+10 Compton=1.5528e+09 Rayleigh=2.07735e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62042e+10 Compton=1.54961e+09 Rayleigh=2.07842e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62208e+10 Compton=1.53771e+09 Rayleigh=2.07686e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62802e+10 Compton=1.5514e+09 Rayleigh=2.0706e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62257e+10 Compton=1.52543e+09 Rayleigh=2.07916e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.62758e+10 Compton=1.5485e+09 Rayleigh=2.07265e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.61933e+10 Compton=1.55731e+09 Rayleigh=2.08193e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/Mo5PB2-farhie-20241030-081718/data]. Time: 13 [s] SampleF: scattered intensity: fluo=1.6168e+10 Compton=1.55453e+09 Rayleigh=2.08269e+10