INFO: Using directory: "1" 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' (/zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6.1_CPU_MPICC_1e7/MAXII_811/MAXII_811.instr): running on 12 nodes (master is 'n-62-31-9', 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 [MAXII_811] Initialize Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/characteristics_wiggler811.dc0' (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] 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 '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/C.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. Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/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. 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 'C.txt' (Table_Read_Offset) Reusing input file 'C.txt' (Table_Read_Offset) Reusing input file 'C.txt' (Table_Read_Offset) Reusing input file 'C.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../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. 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. be_window: Rebinning material data (Be.txt) for faster tracing...done 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) Inner volume = 0 Reusing input file 'Si.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Reusing input file 'Rh.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Warning: (xafs_sample) Inner volume = 0 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) Inner volume = 0 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) Inner volume = 0 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) Inner volume = 0 Warning: (xafs_sample) Inner volume = 0 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: (xafs_sample) Inner volume = 0 Warning: (xafs_sample) Inner volume = 0 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) Inner volume = 0 Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) 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) Inner volume = 0 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 WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Warning: (xafs_sample) Inner volume = 0 Warning: (xafs_sample) Inner volume = 0 Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Ag.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Fe.txt' (Table_Read_Offset) 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 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 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 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 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 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 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 ('NULL') nor defined sigma_inc! Trace ETA 14 [s] % 74 Trace ETA 15 [s] % 72 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 73 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 73 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 74 Trace ETA 15 [s] % 72 Trace ETA 15 [s] % 72 80 80 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 90 90 *** TRACE end *** Save [MAXII_811] Detector: source_psd_I=4.5553e+15 source_psd_ERR=1.48164e+12 source_psd_N=1e+07 "source.psd" Detector: source_E_I=4.55144e+15 source_E_ERR=1.48157e+12 source_E_N=9.9172e+06 "source.E" Detector: source_L_I=4.55144e+15 source_L_ERR=1.48157e+12 source_L_N=9.9172e+06 "source.L" Detector: m_entry_psd_I=2.98893e+15 m_entry_psd_ERR=1.16661e+12 m_entry_psd_N=7.85639e+06 "me_psd.dat" Detector: m_entry_E_I=2.98891e+15 m_entry_E_ERR=1.16661e+12 m_entry_E_N=7.79128e+06 "m_entry.E" Detector: m_entry_L_I=2.98891e+15 m_entry_L_ERR=1.16661e+12 m_entry_L_N=7.79128e+06 "m_entry.L" Detector: hutch_psd_I=3.77614e+10 hutch_psd_ERR=3.35696e+09 hutch_psd_N=1.10204e+06 "hutch_psd.dat" Detector: hutch_E_I=2.20895e+11 hutch_E_ERR=8.1317e+09 hutch_E_N=13145 "hutch.E" Detector: hutch_E2_I=1.00541e+11 hutch_E2_ERR=5.46316e+09 hutch_E2_N=3.11678e+06 "hutch2.E2" Detector: hucth_L_I=2.20892e+11 hucth_L_ERR=8.13169e+09 hucth_L_N=13699 "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=1.22995e+10 diff_sample_psd_ERR=1.91482e+09 diff_sample_psd_N=373675 "diff_sample_psd.dat" Detector: sphere_psd_I=4.79688e+08 sphere_psd_ERR=1.02665e+08 sphere_psd_N=1.33113e+06 "sphere_psd.dat" Detector: square_psd_I=1.92207e+07 square_psd_ERR=9.77755e+06 square_psd_N=166413 "square_psd.dat" Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Detector: pilatus100k_I=0 pilatus100k_ERR=0 pilatus100k_N=101 "pil_diff.psd" Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] Finally [MAXII_811: 1]. Time: 15 [s] INFO: Placing instr file copy /zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6.1_CPU_MPICC_1e7/MAXII_811/MAXII_811.instr in dataset 1 loading system configuration loading override configuration from /zhome/7c/9/7041/McXtrace/mcxtrace/1.5/tools/Python/mctest/../mccodelib/mcxtrace-test/McXtrace-1.6.1_CPU_MPICC/mccode_config.json