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 '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe_bpy_GS_DFT.txt' (Table_Read_Offset)
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe_bpy_ES_DFT.txt' (Table_Read_Offset)
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../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 '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/noabs.txt' (Table_Read_Offset)
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/H2O_hot.txt' (Table_Read_Offset)
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../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 '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/noabs.txt' (Table_Read_Offset)
*** TRACE end *** 

Save [Pump_probe_solvent]
Detector: emon_src_I=7.95775e+11 emon_src_ERR=1.1254e+08 emon_src_N=5e+07 "emon_src.dat"
Detector: lmon_src_I=7.95775e+11 lmon_src_ERR=1.1254e+08 lmon_src_N=5e+07 "lmon_src.dat"
Detector: sampsd_I=3.97887e+06 sampsd_ERR=562.698 sampsd_N=5e+07 "sampsd.dat"
Detector: psd4pi_I=0.00665776 psd4pi_ERR=6.06921e-06 psd4pi_N=4.49997e+07 "4pi.dat"
Detector: bananapsd_I=3.00563e-05 bananapsd_ERR=6.41559e-07 bananapsd_N=31853 "bananapsd.th"
Detector: det_ccd_rad1_I=0.00316685 det_ccd_rad1_ERR=4.29104e-06 det_ccd_rad1_N=1.84438e+07 "det_ccd_angle.A"
Detector: det_ccd_rad_I=0.00665776 det_ccd_rad_ERR=6.06921e-06 det_ccd_rad_N=4.49997e+07 "det_ccd_rad.dat"
Detector: det_ccd_I=0.00665776 det_ccd_ERR=6.06921e-06 det_ccd_N=4.49997e+07 "det_ccd.dat"

Finally [Pump_probe_solvent: 1]. Time: 53 [s] 
INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-02-01/McXtrace_GPU_PGCC_TESLA_KISS_5e7/Pump_probe_solvent/Pump_probe_solvent.instr in dataset 1
loading system configuration
loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_GPU_PGCC_TESLA_KISS/mccode_config.json