Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 16 nodes (master is 're-grades-02', MPI version 3.1). [Fluo_Diff] Initialize [Fluo_Diff] Initialize Fluo_Diff: Energy 12.99 [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 [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize SampleF: Material C10H14S mass fractions: | 8.5 %: Z= 1 H 1.01 [g/mol] 8.4e-05 [g/cm3] | 72 %: Z= 6 C 12 [g/mol] 2 [g/cm3] | 19 %: Z= 16 S 32.1 [g/mol] 2 [g/cm3] SampleF: Material C10H14S M=166.31 [g/mol] density=1.82996 [g/cm3] rho=0.00662636 [at/Angs-3] [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Error: Could not open input file 'C10H14S' (Open_File) Trace ETA 31 [s] % 35 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 35 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 35 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 Trace ETA 30 [s] % 36 40 40 40 40 40 40 40 40 40 40 40 40 40 40 40 40 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 60 60 60 60 60 60 60 60 60 60 60 60 60 60 60 60 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 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=5.66774e+06 detector_diffraction_ERR=74364.4 detector_diffraction_N=8807 "diffraction.dat" Detector: xpad_I=7.00372e+06 xpad_ERR=75964.4 xpad_N=11922 "diffraction_2d.dat" Detector: detector_fluo_I=1.86058e+11 detector_fluo_ERR=1.23828e+08 detector_fluo_N=8.99906e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=1.16027e+11 emon_fluo_ERR=4.6109e+07 emon_fluo_N=7.12039e+06 "Fluorescence.dat" Detector: emon_Compton_I=4.19006e+08 emon_Compton_ERR=602816 emon_Compton_N=605690 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24763e+09 Compton=6.1557e+08 Rayleigh=1.30409e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.2678e+09 Compton=6.10557e+08 Rayleigh=1.29939e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24754e+09 Compton=6.17226e+08 Rayleigh=1.29787e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.25738e+09 Compton=6.13747e+08 Rayleigh=1.30011e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24976e+09 Compton=6.23995e+08 Rayleigh=1.29412e+09 Detector: emon_Rayleigh_I=6.96116e+10 emon_Rayleigh_ERR=1.14922e+08 emon_Rayleigh_N=1.27298e+06 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.26357e+09 Compton=6.14452e+08 Rayleigh=1.29593e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.25694e+09 Compton=6.16357e+08 Rayleigh=1.29169e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.2387e+09 Compton=6.18256e+08 Rayleigh=1.303e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24447e+09 Compton=6.16864e+08 Rayleigh=1.29554e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.25479e+09 Compton=6.20772e+08 Rayleigh=1.28848e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.25296e+09 Compton=6.13968e+08 Rayleigh=1.29777e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24857e+09 Compton=6.18454e+08 Rayleigh=1.29771e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.25862e+09 Compton=6.17662e+08 Rayleigh=1.29252e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24894e+09 Compton=6.17829e+08 Rayleigh=1.29635e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24833e+09 Compton=6.19485e+08 Rayleigh=1.29616e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/C10H14S-hemmerle-20230912-101713/data]. Time: 29 [s] SampleF: scattered intensity: fluo=7.24436e+09 Compton=6.13615e+08 Rayleigh=1.30024e+09