Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 4 nodes (master is 're-grades-02', MPI version 3.1). [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Error: Could not open input file 'CaCO3Sr' (Open_File) Error: Could not open input file 'CaCO3Sr' (Open_File) Error: Could not open input file 'CaCO3Sr' (Open_File) Fluo_Diff: Energy 18 [keV] [Fluo_Diff] Initialize PowderN: Sample: density/unit cell volume is NULL (Vc). Unactivating component. Error: Could not open input file 'CaCO3Sr' (Open_File) SampleF: Material CaCO3Sr mass fractions: | 6.4 %: Z= 6 C 12 [g/mol] 2 [g/cm3] | 26 %: Z= 8 O 16 [g/mol] 0.00133 [g/cm3] | 21 %: Z= 20 Ca 40.1 [g/mol] 1.55 [g/cm3] | 47 %: Z= 38 Sr 87.6 [g/mol] 2.54 [g/cm3] SampleF: Material CaCO3Sr M=187.71 [g/mol] density=1.64489 [g/cm3] rho=0.00527717 [at/Angs-3] Trace ETA 2.68333 [min] % 6 Trace ETA 2.66667 [min] % 6 Trace ETA 2.78333 [min] % 6 Trace ETA 2.66667 [min] % 6 10 10 10 10 20 20 20 20 30 30 30 30 40 40 40 40 50 50 50 50 60 60 60 60 70 70 70 70 80 80 80 80 90 90 90 90 *** TRACE end *** Save [Fluo_Diff] Detector: detector_diffraction_I=1.43154e+11 detector_diffraction_ERR=4.28302e+08 detector_diffraction_N=125829 "diffraction.dat" Detector: xpad_I=1.9496e+11 xpad_ERR=5.00033e+08 xpad_N=171143 "diffraction_2d.dat" Detector: detector_fluo_I=1.03636e+13 detector_fluo_ERR=3.83917e+09 detector_fluo_N=8.99921e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=1.01325e+13 emon_fluo_ERR=3.60511e+09 emon_fluo_N=8.88366e+06 "Fluorescence.dat" Detector: emon_Compton_I=1.73416e+08 emon_Compton_ERR=1.72038e+06 emon_Compton_N=12748 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/CaCO3Sr-medjoubi-20230921-111118/data]. Time: 2.68333 [min] SampleF: scattered intensity: fluo=2.53344e+12 Compton=3.66274e+09 Rayleigh=2.92661e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CaCO3Sr-medjoubi-20230921-111118/data]. Time: 2.68333 [min] SampleF: scattered intensity: fluo=2.53326e+12 Compton=3.63703e+09 Rayleigh=2.949e+10 Finally [Fluo_Diff: /var/www/html/data/diffraction/CaCO3Sr-medjoubi-20230921-111118/data]. Time: 2.68333 [min] SampleF: scattered intensity: fluo=2.53439e+12 Compton=3.63884e+09 Rayleigh=2.92778e+10 Detector: emon_Rayleigh_I=2.30914e+11 emon_Rayleigh_ERR=1.31999e+09 emon_Rayleigh_N=102802 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/CaCO3Sr-medjoubi-20230921-111118/data]. Time: 2.68333 [min] SampleF: scattered intensity: fluo=2.53363e+12 Compton=3.66486e+09 Rayleigh=2.92818e+10