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: ./Union_single_crystal_validation.c INFO: Using existing binary: ./Union_single_crystal_validation.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 'Union_single_crystal_validation' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/Union_single_crystal_validation/Union_single_crystal_validation.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. Single_crystal: YBaCuO.lau structure a=[3.8186,0,0] b=[0,3.8843,0] c=[0,0,11.6777] V0=173.211 Single_crystal_process: Single_crystal_test_process: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: Single_crystal_test_process: Vc=173.211 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau [Union_single_crystal_validation] Initialize Single_crystal: YBaCuO.lau structure a=[3.8186,0,0] b=[0,3.8843,0] c=[0,0,11.6777] V0=173.211 Single_crystal_process: Single_crystal_test_process: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: Single_crystal_test_process: Vc=173.211 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau [Union_single_crystal_validation] Initialize --------------------------------------------------------------------- global_process_list_master->num_elements: 2 name of process [0]: Single_crystal_test_process component index [0]: 2 name of process [1]: Incoherent_process component index [1]: 3 --------------------------------------------------------------------- global_material_list_master->num_elements: 1 name of material [0]: test_material component index [0]: 4 my_absoprtion [0]: 8.550000 number of processes [0]: 2 --------------------------------------------------------------------- global_geometry_list_master->num_elements: 1 name of geometry [0]: cylinder_sample_union component index [0]: 8 Volume.name [0]: cylinder_sample_union Volume.p_physics.is_vacuum [0]: 0 Volume.p_physics.my_absorption [0]: 8.550000 Volume.p_physics.number of processes [0]: 2 Volume.geometry.shape [0]: cylinder Volume.geometry.center.x [0]: 0.000000 Volume.geometry.center.y [0]: 0.000000 Volume.geometry.center.z [0]: 5.100000 Volume.geometry.rotation_matrix[0] [0]: [1.000000 0.000000 0.000000] Volume.geometry.rotation_matrix[1] [0]: [0.000000 1.000000 0.000000] Volume.geometry.rotation_matrix[2] [0]: [0.000000 0.000000 1.000000] Volume.geometry.geometry_parameters.cyl_radius [0]: 0.010000 Volume.geometry.geometry_parameters.height [0]: 0.010000 Volume.geometry.focus_data_array.elements[0].Aim [0]: [0.000000 0.000000 1.000000] --------------------------------------------------------------------- number_of_volumes = 2 number_of_masks = 0 number_of_masked_volumes = 0 ---- Overview of the lists generated for each volume ---- List overview for surrounding vacuum LIST: Children for Volume 0 = [1] LIST: Direct_children for Volume 0 = [1] LIST: Intersect_check_list for Volume 0 = [1] LIST: Mask_intersect_list for Volume 0 = [] LIST: Destinations_list for Volume 0 = [] LIST: Reduced_destinations_list for Volume 0 = [] LIST: Next_volume_list for Volume 0 = [1] LIST: mask_list for Volume 0 = [] LIST: masked_by_list for Volume 0 = [] LIST: masked_by_mask_index_list for Volume 0 = [] mask_mode for Volume 0 = 0 List overview for cylinder_sample_union with cylinder shape made of test_material LIST: Children for Volume 1 = [] LIST: Direct_children for Volume 1 = [] LIST: Intersect_check_list for Volume 1 = [] LIST: Mask_intersect_list for Volume 1 = [] LIST: Destinations_list for Volume 1 = [0] LIST: Reduced_destinations_list for Volume 1 = [] LIST: Next_volume_list for Volume 1 = [0] Is_vacuum for Volume 1 = 0 is_mask_volume for Volume 1 = 0 is_masked_volume for Volume 1 = 0 is_exit_volume for Volume 1 = 0 LIST: mask_list for Volume 1 = [] LIST: masked_by_list for Volume 1 = [] LIST: masked_by_mask_index_list for Volume 1 = [] mask_mode for Volume 1 = 0 Union_master component test_sample initialized sucessfully 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=[3.8186,0,0] b=[0,3.8843,0] c=[0,0,11.6777] V0=173.211 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.211 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Single_crystal: YBaCuO.lau structure a=[3.8186,0,0] b=[0,3.8843,0] c=[0,0,11.6777] V0=173.211 Single_crystal: sample: Read 62 reflections from file 'YBaCuO.lau' Single_crystal: sample: Vc=173.211 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau NOTE: CPU COMPONENT grammar activated: 1) "FUNNEL" raytrace algorithm enabled. 2) Any SPLIT's are dynamically allocated based on available buffer size. [r6n22.esss.dk:4152127] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4152127] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Save [Union_single_crystal_validation] Detector: Union_logger_2DQ_crystal_I=4.30421e+08 Union_logger_2DQ_crystal_ERR=69983.5 Union_logger_2DQ_crystal_N=8.26431e+07 "Union_logger_2DQ_crystal.dat" Detector: Union_logger_2DQ_incoherent_I=8.35109e+06 Union_logger_2DQ_incoherent_ERR=2294.6 Union_logger_2DQ_incoherent_N=2.84649e+07 "Union_logger_2DQ_incoherent.dat" Detector: det_I=1.44403e+07 det_ERR=8163.57 det_N=2.32705e+07 "psd.dat" Detector: Banana_monitor_I=981299 Banana_monitor_ERR=2677.86 Banana_monitor_N=559983 "banana.dat" Detector: PSDlin_transmission_scattered_I=792980 PSDlin_transmission_scattered_ERR=2328.61 PSDlin_transmission_scattered_N=140370 "Output_transmission_lin_scattered.psd" Detector: PSDlin_transmission_transmitted_I=2.28103e+08 PSDlin_transmission_transmitted_ERR=47886.4 PSDlin_transmission_transmitted_N=2.26902e+07 "Output_transmission_lin_transmitted.psd" Finally [Union_single_crystal_validation: 1]. Time: 26 [s] Finally [Union_single_crystal_validation: 1]. Time: 26 [s] INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/Union_single_crystal_validation/Union_single_crystal_validation.instr in dataset 1