INFO: Using directory: "1" INFO: Using existing c-file: ./Pump_probe_solvent.c INFO: Using existing binary: ./Pump_probe_solvent.out WARNING: Ignoring invalid parameter: "Pump_probe_solvent.instr" INFO: === [Pump_probe_solvent] Initialize Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/Fe_bpy_GS_DFT.txt' (Table_Read_Offset) Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/Fe_bpy_ES_DFT.txt' (Table_Read_Offset) Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/FormFactors.txt' (Table_Read_Offset) sample: Computing F2(q) for two states: Integrated f2 for state 0= 38398.3, Mu_s=3.04913e-05 Integrated f2 for state 1= 37986.2, Mu_s=3.0164e-05 Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/noabs.txt' (Table_Read_Offset) Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/H2O_hot.txt' (Table_Read_Offset) Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/H2O_cold.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) solvent: Computing F2(q) for two states: Integrated f2 for state 0= 129.94, Mu_s=1.03183e-07 Integrated f2 for state 1= 129.748, Mu_s=1.0303e-07 Opening input file '/u/data/pkwi/McXtrace/mcxtrace/3.x-dev/data/noabs.txt' (Table_Read_Offset) *** TRACE end *** Save [Pump_probe_solvent] Detector: emon_src_I=7.95775e+11 emon_src_ERR=2.51646e+08 emon_src_N=1e+07 "emon_src.dat" Detector: lmon_src_I=7.95775e+11 lmon_src_ERR=2.51646e+08 lmon_src_N=1e+07 "lmon_src.dat" Detector: sampsd_I=3.97887e+06 sampsd_ERR=1258.23 sampsd_N=1e+07 "sampsd.dat" Detector: psd4pi_I=0.00666262 psd4pi_ERR=1.35766e-05 psd4pi_N=8.9989e+06 "4pi.dat" Detector: bananapsd_I=3.2003e-05 bananapsd_ERR=1.50297e-06 bananapsd_N=6476 "bananapsd.th" Detector: det_ccd_rad1_I=0.00318249 det_ccd_rad1_ERR=9.63583e-06 det_ccd_rad1_N=3.68839e+06 "det_ccd_angle.A" Detector: det_ccd_rad_I=0.00666262 det_ccd_rad_ERR=1.35766e-05 det_ccd_rad_N=8.9989e+06 "det_ccd_rad.dat" Detector: det_ccd_I=0.00666262 det_ccd_ERR=1.35766e-05 det_ccd_N=8.9989e+06 "det_ccd.dat" Finally [Pump_probe_solvent: 1]. Time: 1 [s] INFO: Placing instr file copy Pump_probe_solvent.instr in dataset 1 INFO: Placing generated c-code copy Pump_probe_solvent.c in dataset 1