loading system configuration loading override configuration from /users/willend/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_DUAL_A100_DMSC/mccode_config.json 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: No preset parameters were found for the device that Open MPI detected: Local host: r6n22 Device name: mlx5_0 Device vendor ID: 0x02c9 Device vendor part ID: 4123 Default device parameters will be used, which may result in lower performance. You can edit any of the files specified by the btl_openib_device_param_files MCA parameter to set values for your device. NOTE: You can turn off this warning by setting the MCA parameter btl_openib_warn_no_device_params_found to 0. -------------------------------------------------------------------------- Simulation 'MAXII_811' (/users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/MAXII_811/MAXII_811.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1). Have found 2 GPU devices on rank 0. Will use device 0. Have found 2 GPU devices on rank 1. Will use device 1. [MAXII_811] Initialize Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/characteristics_wiggler811.dc0' (Table_Read_Offset) [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] Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C.txt' (Table_Read_Offset) 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 Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Rh.txt' (Table_Read_Offset) 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. Reusing input file 'C.txt' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. 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_filter2: Rebinning material data (C.txt) for faster tracing...done Reusing input file 'C.txt' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter3: Rebinning material data (C.txt) for faster tracing...done Reusing input file 'C.txt' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter1: 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. c_filter: Rebinning material data (C.txt) for faster tracing...done Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter2: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. att_filter3: Rebinning material data (C.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C.txt would exceed 1M rows. Skipping. c_filter: Rebinning material data (C.txt) for faster tracing...done Opening input file '/users/willend/McXtrace/mcxtrace/3.x-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 '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. 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. Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Ag.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: Invalid inner volume specification. Ignoring. INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/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 INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability Opening input file '/users/willend/McXtrace/mcxtrace/3.x-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 ('Si.txt') nor defined sigma_inc! Reusing input file 'Si.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 WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability *** TRACE end *** Save [MAXII_811] Detector: source_psd_I=4.55525e+15 source_psd_ERR=6.62598e+11 source_psd_N=5e+07 "source.psd" Detector: source_E_I=4.55141e+15 source_E_ERR=6.62564e+11 source_E_N=4.95882e+07 "source.E" Detector: source_L_I=4.55141e+15 source_L_ERR=6.62564e+11 source_L_N=4.95882e+07 "source.L" Detector: m_entry_psd_I=2.98906e+15 m_entry_psd_ERR=5.21733e+11 m_entry_psd_N=3.92894e+07 "me_psd.dat" Detector: m_entry_E_I=2.98904e+15 m_entry_E_ERR=5.21733e+11 m_entry_E_N=3.8966e+07 "m_entry.E" Detector: m_entry_L_I=2.98904e+15 m_entry_L_ERR=5.21733e+11 m_entry_L_N=3.8966e+07 "m_entry.L" Detector: hutch_psd_I=1.57615e+11 hutch_psd_ERR=3.10304e+09 hutch_psd_N=2.23002e+07 "hutch_psd.dat" Detector: hutch_E_I=2.30915e+11 hutch_E_ERR=3.76038e+09 hutch_E_N=65146 "hutch.E" Detector: hutch_E2_I=2.2664e+11 hutch_E2_ERR=3.72528e+09 hutch_E2_N=3.20594e+07 "hutch2.E2" Detector: hucth_L_I=2.30915e+11 hucth_L_ERR=3.76038e+09 hucth_L_N=68156 "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=1.57572e+11 diff_sample_psd_ERR=3.10254e+09 diff_sample_psd_N=2.2242e+07 "diff_sample_psd.dat" Detector: sphere_psd_I=1.50107e+08 sphere_psd_ERR=4.36557e+07 sphere_psd_N=4.2606e+06 "sphere_psd.dat" Detector: square_psd_I=1.46822e+07 square_psd_ERR=9.95507e+06 square_psd_N=678537 "square_psd.dat" Finally [MAXII_811: 2]. Time: 1 [s] Detector: pilatus100k_I=0 pilatus100k_ERR=0 pilatus100k_N=601 "pil_diff.psd" Finally [MAXII_811: 2]. Time: 1 [s] [r6n22.esss.dk:3408976] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:3408976] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages INFO: Placing instr file copy /users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/MAXII_811/MAXII_811.instr in dataset 2