INFO: Using directory: "2" INFO: Using existing c-file: ./MAXII_811.c INFO: Using existing binary: ./MAXII_811.out WARNING: Ignoring invalid parameter: "MAXII_811.instr" INFO: === Simulation 'MAXII_811' (/home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/MAXII_811/MAXII_811.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/characteristics_wiggler811.dc0' (Table_Read_Offset) [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize [MAXII_811] Initialize INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/C.txt' (Table_Read_Offset) INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done fe_c_filter: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Rh.txt' (Table_Read_Offset) fe_c_filter: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. fe_c_filter: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter1: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter2: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Reusing input file 'C.txt' (Table_Read_Offset) att_filter1: Rebinning material data (C.txt) for faster tracing...done Reusing input file 'C.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done Reusing input file 'C.txt' (Table_Read_Offset) att_filter3: Rebinning material data (C.txt) for faster tracing...done Reusing input file 'C.txt' (Table_Read_Offset) c_filter: Rebinning material data (C.txt) for faster tracing...done Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done att_filter3: Rebinning material data (C.txt) for faster tracing...done att_filter1: Rebinning material data (C.txt) for faster tracing...done att_filter2: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter3: Rebinning material data (C.txt) for faster tracing...done c_filter: Rebinning material data (C.txt) for faster tracing...done Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/FormFactors.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Reusing input file 'Si.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) Reusing input file 'Rh.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Be.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Warning: xafs_sample: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done be_window: Rebinning material data (Be.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. be_window: Rebinning material data (Be.txt) for faster tracing...done Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. be_window: Rebinning material data (Be.txt) for faster tracing...done Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Ag.txt' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. be_window: Rebinning material data (Be.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. be_window: Rebinning material data (Be.txt) for faster tracing...done Warning: xafs_sample: Invalid inner volume specification. Ignoring. Warning: xafs_sample: Invalid inner volume specification. Ignoring. INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Fe.txt' (Table_Read_Offset) INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.laz' (Table_Read_Offset) xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done Table from file 'Si.laz' (block 1) is 45 x 18 (x=1:10), constant step. interpolation: linear '# TITLE *-Si-[FD3-MS] Toebbens, D.M.;Stuesser, N.;Knorr, K.;Mayer[2001];# C ...' PowderN: si_sample: Reading 45 rows from Si.laz PowderN: si_sample: Read 45 reflections from file 'Si.laz' PowderN: si_sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('Si.txt') nor defined sigma_inc! Reusing input file 'Si.txt' (Table_Read_Offset) PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability PowderN: si_sample: WARNING: p_interact=0, adjusting to 0.01, to avoid algorithm instability Trace ETA 0 [s] % 1151 Trace ETA 7 [s] % 149 Trace ETA 1 [s] % 751 Trace ETA 1 [s] % 649 Trace ETA 0 [s] % 1549 Trace ETA 0 [s] % 1451 Trace ETA 3 [s] % 349 Trace ETA 1 [s] % 850 Trace ETA 0 [s] % 1350 Trace ETA 0 [s] % 1250 Trace ETA 21 [s] % 50 Trace ETA 4 [s] % 251 Trace ETA 2 [s] % 450 Trace ETA 1 [s] % 551 Trace ETA 1 [s] % 1050 Trace ETA 1 [s] % 951 150 350 650 1550 760 560 1460 260 1160 960 460 1360 1060 60 860 1260 160 360 660 1560 770 570 1470 270 1170 970 470 1370 1070 70 870 1270 170 370 670 1570 780 580 1480 280 1180 980 480 1380 1080 80 880 1280 180 380 680 1580 790 590 1490 290 1190 990 490 1390 1090 90 890 1290 190 390 690 1590 *** TRACE end *** Save [MAXII_811] Detector: source_psd_I=4.55524e+15 source_psd_ERR=6.62594e+11 source_psd_N=5e+07 "source.psd" Detector: source_E_I=4.5514e+15 source_E_ERR=6.6256e+11 source_E_N=4.95879e+07 "source.E" Detector: source_L_I=4.5514e+15 source_L_ERR=6.6256e+11 source_L_N=4.95879e+07 "source.L" Detector: m_entry_psd_I=2.98875e+15 m_entry_psd_ERR=5.21709e+11 m_entry_psd_N=3.92869e+07 "me_psd.dat" Detector: m_entry_E_I=2.98873e+15 m_entry_E_ERR=5.21709e+11 m_entry_E_N=3.89629e+07 "m_entry.E" Detector: m_entry_L_I=2.98873e+15 m_entry_L_ERR=5.21709e+11 m_entry_L_N=3.89629e+07 "m_entry.L" Detector: hutch_psd_I=1.56655e+11 hutch_psd_ERR=3.08969e+09 hutch_psd_N=2.23002e+07 "hutch_psd.dat" Detector: hutch_E_I=2.27847e+11 hutch_E_ERR=3.72781e+09 hutch_E_N=65730 "hutch.E" Detector: hutch_E2_I=2.23188e+11 hutch_E2_ERR=3.68898e+09 hutch_E2_N=3.20553e+07 "hutch2.E2" Detector: hucth_L_I=2.27847e+11 hucth_L_ERR=3.72781e+09 hucth_L_N=68690 "hutch.L" Detector: I0_I=0 I0_ERR=0 I0_N=0 "I0" Detector: I1_I=0 I1_ERR=0 I1_N=0 "I1" Detector: I2_I=0 I2_ERR=0 I2_N=0 "I2" Detector: diff_sample_psd_I=1.56485e+11 diff_sample_psd_ERR=3.08851e+09 diff_sample_psd_N=2.22417e+07 "diff_sample_psd.dat" Detector: sphere_psd_I=2.20075e+08 sphere_psd_ERR=1.83272e+07 sphere_psd_N=4.26147e+07 "sphere_psd.dat" Detector: square_psd_I=9.68184e+06 square_psd_ERR=2.57939e+06 square_psd_N=6.78532e+06 "square_psd.dat" Detector: pilatus100k_I=0 pilatus100k_ERR=0 pilatus100k_N=6054 "pil_diff.psd" Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] Finally [MAXII_811: 2]. Time: 22 [s] INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/MAXII_811/MAXII_811.instr in dataset 2