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 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 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 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 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 [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) Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. 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] Error: Could not open input file 'BaTiO3' (Open_File) Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 67 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 66 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 68 Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 68 Trace ETA 15 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 15 [s] % 68 Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 67 Trace ETA 15 [s] % 68 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 67 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 15 [s] % 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=3.1272e+07 detector_diffraction_ERR=3.51512e+06 detector_diffraction_N=1370 "diffraction.dat" Detector: xpad_I=4.35971e+07 xpad_ERR=4.02717e+06 xpad_N=1833 "diffraction_2d.dat" Detector: detector_fluo_I=3.91372e+12 detector_fluo_ERR=1.76483e+09 detector_fluo_N=8.99768e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=2.85344e+12 emon_fluo_ERR=1.11912e+09 emon_fluo_N=7.31043e+06 "Fluorescence.dat" Detector: emon_Compton_I=2.41525e+08 emon_Compton_ERR=906961 emon_Compton_N=90576 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.93218e+10 Compton=1.09637e+09 Rayleigh=1.94645e+10 Detector: emon_Rayleigh_I=1.06003e+12 emon_Rayleigh_ERR=1.36462e+09 emon_Rayleigh_N=1.59668e+06 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91871e+10 Compton=1.10001e+09 Rayleigh=1.96076e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91502e+10 Compton=1.06642e+09 Rayleigh=1.93893e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92164e+10 Compton=1.11566e+09 Rayleigh=1.94656e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.93252e+10 Compton=1.14912e+09 Rayleigh=1.94105e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.89993e+10 Compton=1.09579e+09 Rayleigh=1.94309e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91829e+10 Compton=1.08727e+09 Rayleigh=1.95789e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92911e+10 Compton=1.03877e+09 Rayleigh=1.93637e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92322e+10 Compton=1.10867e+09 Rayleigh=1.94264e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91667e+10 Compton=1.12491e+09 Rayleigh=1.95241e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91914e+10 Compton=1.09296e+09 Rayleigh=1.94493e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92157e+10 Compton=1.11471e+09 Rayleigh=1.95265e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91998e+10 Compton=1.11002e+09 Rayleigh=1.95064e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92484e+10 Compton=1.10615e+09 Rayleigh=1.95335e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.95162e+10 Compton=1.10035e+09 Rayleigh=1.93378e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.93054e+10 Compton=1.09814e+09 Rayleigh=1.95123e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.93421e+10 Compton=1.08826e+09 Rayleigh=1.93441e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91712e+10 Compton=1.12484e+09 Rayleigh=1.94732e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91071e+10 Compton=1.09971e+09 Rayleigh=1.94282e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.9374e+10 Compton=1.11988e+09 Rayleigh=1.94791e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91063e+10 Compton=1.10223e+09 Rayleigh=1.94596e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.90496e+10 Compton=1.11204e+09 Rayleigh=1.95485e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.93225e+10 Compton=1.09964e+09 Rayleigh=1.93497e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92429e+10 Compton=1.12513e+09 Rayleigh=1.9472e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.89985e+10 Compton=1.14717e+09 Rayleigh=1.95833e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91343e+10 Compton=1.11094e+09 Rayleigh=1.94929e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92294e+10 Compton=1.10464e+09 Rayleigh=1.94395e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.9103e+10 Compton=1.10854e+09 Rayleigh=1.95591e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91457e+10 Compton=1.09953e+09 Rayleigh=1.95275e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.92143e+10 Compton=1.0896e+09 Rayleigh=1.95131e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91542e+10 Compton=1.14153e+09 Rayleigh=1.95848e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/BaTiO3-farhie-20231117-104007/data]. Time: 16 [s] SampleF: scattered intensity: fluo=8.91588e+10 Compton=1.06453e+09 Rayleigh=1.94895e+10