INFO: Using directory: "2" INFO: Using existing c-file: ./Union_single_crystal_validation.c INFO: Using existing binary: ./Union_single_crystal_validation.out INFO: === Simulation 'Union_single_crystal_validation' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/Union_single_crystal_validation/Union_single_crystal_validation.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.1). 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 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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_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 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 [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 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 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 Mode: Direct mode lattice 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 Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] Mode: Direct mode lattice 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 Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] Mode: Direct mode lattice 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 Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] Mode: Direct mode lattice 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 Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] --------------------------------------------------------------------- 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 c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] c* = [0 0 0.53805] 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 '/u/data/pkwi/McStas/mcstas/3.x-dev/data/YBaCuO.lau' (Table_Read_Offset) Mode: Direct mode lattice 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 Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] Mode: Direct mode lattice 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 Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] Mode: Direct mode lattice 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 Mode: Direct mode lattice Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] 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' Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] Single_crystal: sample: Vc=173.211 [Angs] sigma_abs=14.82 [barn] sigma_inc=2.105 [barn] reflections=YBaCuO.lau Direct space lattice orientation: a = [3.8186 0 0] b = [0 3.8843 0] c = [0 0 11.6777] Reciprocal space lattice orientation: a* = [1.64542 0 0] b* = [0 1.61758 0] c* = [0 0 0.53805] *** TRACE end *** Save [Union_single_crystal_validation] Detector: Union_logger_2DQ_crystal_I=4.27893e+08 Union_logger_2DQ_crystal_ERR=140718 Union_logger_2DQ_crystal_N=1.63575e+07 "Union_logger_2DQ_crystal.dat" Detector: Union_logger_2DQ_incoherent_I=8.3554e+06 Union_logger_2DQ_incoherent_ERR=5094.61 Union_logger_2DQ_incoherent_N=5.69662e+06 "Union_logger_2DQ_incoherent.dat" Detector: det_I=1.44246e+07 det_ERR=18131 det_N=4.65586e+06 "psd.dat" Detector: Banana_monitor_I=976926 Banana_monitor_ERR=5737.3 Banana_monitor_N=111231 "banana.dat" Detector: PSDlin_transmission_scattered_I=786052 PSDlin_transmission_scattered_ERR=5183.17 PSDlin_transmission_scattered_N=27748 "Output_transmission_lin_scattered.psd" Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Finally [Union_single_crystal_validation: 2]. Time: 4 [s] Detector: PSDlin_transmission_transmitted_I=2.27967e+08 PSDlin_transmission_transmitted_ERR=107045 PSDlin_transmission_transmitted_N=4.53534e+06 "Output_transmission_lin_transmitted.psd" Finally [Union_single_crystal_validation: 2]. Time: 4 [s] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/Union_single_crystal_validation/Union_single_crystal_validation.instr in dataset 2