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 [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Fluo_Diff: Energy 16.99 [keV] [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 Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif ./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif into F2(HKL) list /tmp/filebQP772 cif2hkl -o /tmp/filebQP772 --mode XRA /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Table from file '/tmp/filebQP772' (block 1) is 149 x 6 (x=1:16), constant step. interpolation: linear '# TITLE Al4 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Sample: Reading 149 rows from /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif PowderN: Sample: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. PowderN: Sample: Read 149 reflections from file '/var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif' PowderN: Sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc! SampleF: Material Al mass fractions: | 1e+02 %: Z= 13 Al 27 [g/mol] 2.7 [g/cm3] SampleF: Material Al M=26.97 [g/mol] density=2.6989 [g/cm3] rho=0.0602638 [at/Angs-3] Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif Fluorescence: INFO: SampleF: found material Al from file /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/Al.cif *** TRACE end *** Save [Fluo_Diff] Detector: detector_diffraction_I=2.2517e+09 detector_diffraction_ERR=3.93532e+06 detector_diffraction_N=3.11382e+06 "diffraction.dat" Detector: xpad_I=2.75808e+09 xpad_ERR=4.36772e+06 xpad_N=3.8478e+06 "diffraction_2d.dat" Detector: detector_fluo_I=1.20733e+11 detector_fluo_ERR=1.65868e+08 detector_fluo_N=9.85768e+06 "Fluorescence_all.dat" Detector: emon_fluo_I=7.44876e+10 emon_fluo_ERR=9.12491e+07 emon_fluo_N=749280 "Fluorescence.dat" Detector: emon_Compton_I=4.06845e+08 emon_Compton_ERR=1.04955e+06 emon_Compton_N=179272 "Compton.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.34269e+09 Compton=5.5055e+08 Rayleigh=1.10576e+09 Detector: emon_Rayleigh_I=4.01428e+10 emon_Rayleigh_ERR=1.38368e+08 emon_Rayleigh_N=355533 "Rayleigh.dat" Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.34933e+09 Compton=5.48221e+08 Rayleigh=1.11309e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.29909e+09 Compton=5.55635e+08 Rayleigh=1.08397e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.3078e+09 Compton=5.56381e+08 Rayleigh=1.09154e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.32504e+09 Compton=5.51431e+08 Rayleigh=1.12243e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31188e+09 Compton=5.53986e+08 Rayleigh=1.10586e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31331e+09 Compton=5.48324e+08 Rayleigh=1.09495e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.32715e+09 Compton=5.46852e+08 Rayleigh=1.10135e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33999e+09 Compton=5.62137e+08 Rayleigh=1.11408e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31861e+09 Compton=5.59257e+08 Rayleigh=1.08616e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.32764e+09 Compton=5.4899e+08 Rayleigh=1.08382e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31005e+09 Compton=5.40211e+08 Rayleigh=1.10917e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33994e+09 Compton=5.56425e+08 Rayleigh=1.09393e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.29907e+09 Compton=5.5527e+08 Rayleigh=1.0981e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33169e+09 Compton=5.57815e+08 Rayleigh=1.09371e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.36074e+09 Compton=5.65388e+08 Rayleigh=1.11865e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31927e+09 Compton=5.64691e+08 Rayleigh=1.10098e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.35893e+09 Compton=5.55032e+08 Rayleigh=1.09484e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33228e+09 Compton=5.5091e+08 Rayleigh=1.10852e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.3116e+09 Compton=5.52032e+08 Rayleigh=1.10489e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33824e+09 Compton=5.59245e+08 Rayleigh=1.11235e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33959e+09 Compton=5.46056e+08 Rayleigh=1.09978e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.32632e+09 Compton=5.53555e+08 Rayleigh=1.10475e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33519e+09 Compton=5.60613e+08 Rayleigh=1.096e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31552e+09 Compton=5.62125e+08 Rayleigh=1.08948e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31638e+09 Compton=5.54385e+08 Rayleigh=1.1072e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.3322e+09 Compton=5.69204e+08 Rayleigh=1.10633e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.34793e+09 Compton=5.53114e+08 Rayleigh=1.12163e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.32696e+09 Compton=5.67249e+08 Rayleigh=1.08666e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.31449e+09 Compton=5.59052e+08 Rayleigh=1.09773e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33268e+09 Compton=5.58086e+08 Rayleigh=1.12481e+09 Finally [Fluo_Diff: /var/www/html/data/diffraction/Al.cif-farhie-20231117-104235/data]. Time: 1 [s] SampleF: scattered intensity: fluo=2.33713e+09 Compton=5.60497e+08 Rayleigh=1.10868e+09