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_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 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] 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) 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/FormFactors.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) 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. 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 Absorption_sample(xafs_sample): Warning: Inner volume = 0 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 Absorption_sample(xafs_sample): Warning: Inner volume = 0 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 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 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) 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 Absorption_sample(xafs_sample): Warning: Inner volume = 0 Absorption_sample(xafs_sample): Warning: 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. Absorption_sample(xafs_sample): Warning: Inner volume = 0 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 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. 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 . PowderN: si_sample Error reading material data from file . 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. 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/Fe.txt' (Table_Read_Offset) 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 PowderN: si_sample Error reading material data from file . PowderN: si_sample Error reading material data from file . 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 . Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6/tools/Python_3.0-dev/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 ('') nor defined sigma_inc! PowderN: si_sample Error reading material data from file . Trace ETA 17 [s] % 63 Trace ETA 18 [s] % 58 Trace ETA 17 [s] % 63 Trace ETA 18 [s] % 60 Trace ETA 17 [s] % 63 Trace ETA 18 [s] % 60 Trace ETA 17 [s] % 63 Trace ETA 18 [s] % 59 Trace ETA 17 [s] % 64 Trace ETA 18 [s] % 59 Trace ETA 17 [s] % 63 Trace ETA 17 [s] % 63 73 73 73 73 74 73 73 68 70 70 69 69 83 83 83 84 83 83 83 78 80 80 79 79 93 93 94 93 93 93 93 88 90 90 89 89 Finally [MAXII_811: 1]. Time: 16 [s] Warning: 70183 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 1]. Time: 16 [s] Warning: 70002 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 1]. Time: 16 [s] Warning: 69952 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 1]. Time: 16 [s] Warning: 70070 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 1]. Time: 17 [s] Warning: 69884 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 1]. Time: 17 [s] Warning: 69888 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 98 99 99 Finally [MAXII_811: 1]. Time: 17 [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: 1]. Time: 17 [s] Warning: 69561 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 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: 1]. Time: 17 [s] Warning: 69745 events were removed in Component[47] square_psd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_811: 1]. Time: 17 [s] Warning: 69748 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=9.9172e+06 "source.E" Detector: source_L_I=4.55206e+15 source_L_ERR=1.48174e+12 source_L_N=9.9172e+06 "source.L" Detector: m_entry_psd_I=2.99024e+15 m_entry_psd_ERR=1.16691e+12 m_entry_psd_N=7.85898e+06 "me_psd.dat" Detector: m_entry_E_I=2.99022e+15 m_entry_E_ERR=1.16691e+12 m_entry_E_N=7.7939e+06 "m_entry.E" Detector: m_entry_L_I=2.99022e+15 m_entry_L_ERR=1.16691e+12 m_entry_L_N=7.7939e+06 "m_entry.L" Detector: hutch_psd_I=3.96411e+10 hutch_psd_ERR=3.44911e+09 hutch_psd_N=1.10214e+06 "hutch_psd.dat" Detector: hutch_E_I=2.34306e+11 hutch_E_ERR=8.45959e+09 hutch_E_N=13111 "hutch.E" Detector: hutch_E2_I=1.17528e+11 hutch_E2_ERR=6.00684e+09 hutch_E2_N=3.11703e+06 "hutch2.E2" Detector: hucth_L_I=2.33952e+11 hucth_L_ERR=8.45223e+09 hucth_L_N=13717 "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=1.30427e+10 diff_sample_psd_ERR=1.9698e+09 diff_sample_psd_N=374012 "diff_sample_psd.dat" Detector: sphere_psd_I=3.69544e+08 sphere_psd_ERR=5.82474e+07 sphere_psd_N=1.46433e+06 "sphere_psd.dat" Detector: square_psd_I=3.07973e+07 square_psd_ERR=1.07206e+07 square_psd_N=138030 "square_psd.dat" Finally [MAXII_811: 1]. Time: 18 [s] Warning: 69960 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=18 "pil_diff.psd" Finally [MAXII_811: 1]. Time: 18 [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: 69950 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 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_CPU_MPICC/mccode_config.json