loading system configuration loading override configuration from /users/willend/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_DUAL_A100_DMSC/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./MAXII_711.c INFO: Using existing binary: ./MAXII_711.out WARNING: Ignoring invalid parameter: "MAXII_711.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_711' (/users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/MAXII_711/MAXII_711.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1). Have found 2 GPU devices on rank 1. Will use device 1. Have found 2 GPU devices on rank 0. Will use device 0. [MAXII_711] Initialize [MAXII_711] Initialize Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Pt.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. Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) WARNING(sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C_diamond.laz' (Table_Read_Offset) Table from file 'C_diamond.laz' (block 1) is 16 x 18 (x=1:6), constant step. interpolation: linear '# TITLE *Diamond-C-[FD3-MS] Fayos, J.[1999];# CELL 3.567000 3.567000 3.5670 ...' PowderN: sample: Reading 16 rows from C_diamond.laz PowderN: sample: Read 16 reflections from file 'C_diamond.laz' PowderN: sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('C.txt') nor defined sigma_inc! Opening input file '/users/willend/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C.txt' (Table_Read_Offset) *** TRACE end *** Save [MAXII_711] Detector: source_mon_I=2.39043 source_mon_ERR=0.000338365 source_mon_N=4.99687e+07 "source_mon.dat" Detector: mirror_exit_lmon_I=0.00926437 mirror_exit_lmon_ERR=1.31255e-06 mirror_exit_lmon_N=5e+07 "mi_lmon.dat" Detector: mirror_exit_psd_I=0.00904138 mirror_exit_psd_ERR=1.29666e-06 mirror_exit_psd_N=4.87966e+07 "mi_psd.dat" Detector: mono_exit_lmon_I=5.23809e-06 mono_exit_lmon_ERR=2.69226e-08 mono_exit_lmon_N=2.31632e+07 "me_lmon.dat" Detector: mono_exit_psd_I=5.23756e-06 mono_exit_psd_ERR=2.6921e-08 mono_exit_psd_N=2.31614e+07 "me_psd.dat" Detector: sample_mon_I=2.73219e-07 sample_mon_ERR=6.21009e-09 sample_mon_N=1.17921e+06 "sample_mon.dat" Detector: psd4pi_I=7.75876e-11 psd4pi_ERR=3.06744e-11 psd4pi_N=144504 "psd4pi.dat" Detector: bigpsd_I=1.21726e-12 bigpsd_ERR=4.02076e-13 bigpsd_N=36340 "bigpsd.dat" Detector: bigradial_I=2.00917e-12 bigradial_ERR=4.95003e-13 bigradial_N=46946 "bigradial.dat" Finally [MAXII_711: 1]. Time: 2 [s] Detector: detector_I=2.23662e-13 detector_ERR=9.84466e-14 detector_N=7185 "psd.dat" Finally [MAXII_711: 1]. Time: 2 [s] [r6n22.esss.dk:3408826] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:3408826] 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_711/MAXII_711.instr in dataset 1