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: === WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Warning: (xafs_sample) Inner volume = 0 WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. [MAXII_811] Initialize Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/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] Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/C.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/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. 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) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) 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. Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) be_window: Rebinning material data (Be.txt) for faster tracing...done Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/Ag.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe.txt' (Table_Read_Offset) xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/3.0-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.laz' (Table_Read_Offset) 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 3.68333 [min] % 4 10 20 30 40 50 60 70 80 90 *** TRACE end *** Save [MAXII_811] Detector: source_psd_I=4.55526e+15 source_psd_ERR=1.48161e+12 source_psd_N=1e+07 "source.psd" Detector: source_E_I=4.55143e+15 source_E_ERR=1.48154e+12 source_E_N=9.91766e+06 "source.E" Detector: source_L_I=4.55143e+15 source_L_ERR=1.48154e+12 source_L_N=9.91766e+06 "source.L" Detector: m_entry_psd_I=2.98856e+15 m_entry_psd_ERR=1.16652e+12 m_entry_psd_N=7.858e+06 "me_psd.dat" Detector: m_entry_E_I=2.98854e+15 m_entry_E_ERR=1.16652e+12 m_entry_E_N=7.79339e+06 "m_entry.E" Detector: m_entry_L_I=2.98854e+15 m_entry_L_ERR=1.16652e+12 m_entry_L_N=7.79339e+06 "m_entry.L" Detector: hutch_psd_I=1.64172e+11 hutch_psd_ERR=7.10114e+09 hutch_psd_N=4.45994e+06 "hutch_psd.dat" Detector: hutch_E_I=2.38706e+11 hutch_E_ERR=8.56109e+09 hutch_E_N=13128 "hutch.E" Detector: hutch_E2_I=2.33843e+11 hutch_E2_ERR=8.47105e+09 hutch_E2_N=6.41075e+06 "hutch2.E2" Detector: hucth_L_I=2.38706e+11 hucth_L_ERR=8.56107e+09 hucth_L_N=13721 "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=1.64656e+11 diff_sample_psd_ERR=7.11321e+09 diff_sample_psd_N=4.44864e+06 "diff_sample_psd.dat" Detector: sphere_psd_I=5.84784e+08 sphere_psd_ERR=1.10918e+08 sphere_psd_N=1.33033e+06 "sphere_psd.dat" Detector: square_psd_I=1.30197e+07 square_psd_ERR=7.28607e+06 square_psd_N=165931 "square_psd.dat" Detector: pilatus100k_I=0 pilatus100k_ERR=0 pilatus100k_N=101 "pil_diff.psd" Finally [MAXII_811: 2]. Time: 3.43333 [min] INFO: Placing instr file copy /zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-3.0_CPU_gcc_MPI_1e7/MAXII_811/MAXII_811.instr in dataset 2 loading system configuration loading override configuration from /zhome/7c/9/7041/McXtrace/mcxtrace/1.5/tools/Python/mctest/../mccodelib/mcxtrace-test/McXtrace-3.0_CPU_gcc_MPI/mccode_config.json