loading system configuration loading user configuration from /users/willend/.mcstas/3.x-dev/mccode_config.json loading override configuration from /users/willend/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_DUAL_A100_DMSC/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./Test_SX.c INFO: Using existing binary: ./Test_SX.out 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 'Test_SX' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/Test_SX/Test_SX.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. [Test_SX] Initialize [Test_SX] Initialize Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/YBaCuO.lau' (Table_Read_Offset) Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: SX: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: SX: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Single_crystal: YBaCuO.lau structure a=3.8186 b=3.886 c=11.6777 aa=90 bb=90 cc=90 V0=173.286 Single_crystal: SX: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: SX: Vc=173.286 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau [r6n22.esss.dk:4149594] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4149594] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages *** TRACE end *** Save [Test_SX] Detector: PSD_I=4.05181e+09 PSD_ERR=1.28153e+06 PSD_N=5e+07 "incoming.dat" Detector: Full_mon_I=7.15478e+07 Full_mon_ERR=39792.5 Full_mon_N=4.99496e+07 "FULL.dat" Detector: Sph_tun_I=0 Sph_tun_ERR=0 Sph_tun_N=0 "tun.dat" Detector: PSDBS_I=0 PSDBS_ERR=0 PSDBS_N=0 "BS0.dat" Detector: Sph_mon_I=7.15478e+07 Sph_mon_ERR=39792.5 Sph_mon_N=4.99496e+07 "Tot.dat" Detector: Sph_coh_I=2.61784e+07 Sph_coh_ERR=36578.8 Sph_coh_N=1.3856e+06 "coh.dat" Detector: Sph_inc_I=4.53694e+07 Sph_inc_ERR=15666.5 Sph_inc_N=4.8564e+07 "inc.dat" Finally [Test_SX: 1]. Time: 6 [s] Finally [Test_SX: 1]. Time: 6 [s] INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/Test_SX/Test_SX.instr in dataset 1