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' (/zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6_CPU_MPICC_1e7/MAXII_811/MAXII_811.instr): running on 12 nodes (master is 'n-62-31-13', 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 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/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/characteristics_wiggler811.dc0' (Table_Read_Offset) wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] wiggler: Integrated intensity radiated is 4.54764e+15 pht/s wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV] 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/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/C.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Rh.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/FormFactors.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: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Absorption_sample(xafs_sample): Warning: 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 Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) Absorption_sample(xafs_sample): Warning: Inner volume = 0 Absorption_sample(xafs_sample): Warning: 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 Absorption_sample(xafs_sample): Warning: 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. Absorption_sample(xafs_sample): Warning: Inner volume = 0 Absorption_sample(xafs_sample): Warning: Inner volume = 0 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 WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping. Absorption_sample(xafs_sample): Warning: Inner volume = 0 be_window: Rebinning material data (Be.txt) for faster tracing...done Absorption_sample(xafs_sample): Warning: Inner volume = 0 Absorption_sample(xafs_sample): Warning: 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 Absorption_sample(xafs_sample): Warning: 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. Absorption_sample(xafs_sample): Warning: Inner volume = 0 Absorption_sample(xafs_sample): Warning: Inner volume = 0 Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Ag.txt' (Table_Read_Offset) 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. 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 Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Fe.txt' (Table_Read_Offset) 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. 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. 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. PowderN: si_sample Error reading material data from file . WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping. PowderN: si_sample Error reading material data from file . 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 PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Si.laz' (Table_Read_Offset) PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . 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 ('') nor defined sigma_inc! PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . Trace ETA 17 [s] % 64 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 64 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 68 Trace ETA 15 [s] % 70 Trace ETA 16 [s] % 65 Trace ETA 16 [s] % 66 Trace ETA 15 [s] % 70 Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 68 Trace ETA 21 [s] % 51 80 80 79 78 78 78 78 76 75 74 74 61 90 89 90 88 88 88 88 86 85 84 84 71 99 98 98 98 98 96 95 94 94 Finally [MAXII_811: 2]. Time: 16 [s] Warning: 69975 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Warning: 70094 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Warning: 69764 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Warning: 69749 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Warning: 70185 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Warning: 70113 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Finally [MAXII_811: 2]. Time: 16 [s] Warning: 69891 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 69964 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 2]. Time: 16 [s] Warning: 69580 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 81 91 Save [MAXII_811] Detector: source_psd_I=4.55594e+15 source_psd_ERR=1.48182e+12 source_psd_N=1e+07 "source.psd" Finally [MAXII_811: 2]. Time: 21 [s] Warning: 70019 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: source_E_I=4.55206e+15 source_E_ERR=1.48174e+12 source_E_N=9.91721e+06 "source.E" Detector: source_L_I=4.55206e+15 source_L_ERR=1.48174e+12 source_L_N=9.91721e+06 "source.L" Detector: m_entry_psd_I=2.99023e+15 m_entry_psd_ERR=1.16691e+12 m_entry_psd_N=7.85897e+06 "me_psd.dat" Detector: m_entry_E_I=2.99021e+15 m_entry_E_ERR=1.16691e+12 m_entry_E_N=7.7939e+06 "m_entry.E" Detector: m_entry_L_I=2.99021e+15 m_entry_L_ERR=1.16691e+12 m_entry_L_N=7.7939e+06 "m_entry.L" Detector: hutch_psd_I=1.60478e+11 hutch_psd_ERR=7.00179e+09 hutch_psd_N=4.46398e+06 "hutch_psd.dat" Detector: hutch_E_I=2.36947e+11 hutch_E_ERR=8.50914e+09 hutch_E_N=13109 "hutch.E" Detector: hutch_E2_I=2.32445e+11 hutch_E2_ERR=8.42968e+09 hutch_E2_N=6.41443e+06 "hutch2.E2" Detector: hucth_L_I=2.36947e+11 hucth_L_ERR=8.50913e+09 hucth_L_N=13715 "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=1.59793e+11 diff_sample_psd_ERR=6.98795e+09 diff_sample_psd_N=4.45184e+06 "diff_sample_psd.dat" Detector: sphere_psd_I=5.00995e+08 sphere_psd_ERR=6.93244e+07 sphere_psd_N=1.46463e+06 "sphere_psd.dat" Detector: square_psd_I=2.49623e+07 square_psd_ERR=9.92816e+06 square_psd_N=138015 "square_psd.dat" Finally [MAXII_811: 2]. Time: 21 [s] Warning: 69880 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: pilatus100k_I=0 pilatus100k_ERR=0 pilatus100k_N=17 "pil_diff.psd" Finally [MAXII_811: 2]. Time: 21 [s] PowderN: si_sample: Info: you may highly improve the computation efficiency by using SPLIT 15 COMPONENT si_sample=PowderN(...) in the instrument description /zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6_CPU_MPICC_1e7/MAXII_811/MAXII_811.instr. Warning: 69968 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). INFO: Placing instr file copy /zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6_CPU_MPICC_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-1.6_CPU_MPICC/mccode_config.json