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: "2" INFO: Using existing c-file: ./HZB_NEAT.c INFO: Using existing binary: ./HZB_NEAT.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 'HZB_NEAT' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/HZB_NEAT/HZB_NEAT.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. HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.060000 depth=0.002000 Isotropic_sqw: Converting 871 powder lines from Y2O3.laz into S(q,w) data Isotropic_sqw: q range [0:12.6779], creating 1496 elements vector Isotropic_Sqw: Sample: Generated Y2O3.laz coherent Sqw q=[0:12.6695 Angs-1] w=[0:0 meV] |S|=0.0429979 size=[1496x1] sigma=444.64 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=4.832 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) *** TRACE end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.93103e+07 Guide_PSD_ERR=70681.5 Guide_PSD_N=7.08918e+06 "Guide_PSD_1667264338.y_x" Detector: Guide_Lambda_I=3.96949e+07 Guide_Lambda_ERR=49999.8 Guide_Lambda_N=3.54445e+06 "Guide_Lambda_1667264338.L" Detector: Guide2_PSD_I=5.02515e+06 Guide2_PSD_ERR=4608.13 Guide2_PSD_N=5.90123e+06 "Guide2_PSD_1667264338.x_y" Detector: Guide2_Lambda_I=2.51534e+06 Guide2_Lambda_ERR=3259.96 Guide2_Lambda_N=2.95202e+06 "Guide2_Lambda_1667264338.L" Detector: Guide2_dXY_I=5.02505e+06 Guide2_dXY_ERR=4608.09 Guide2_dXY_N=5.90093e+06 "Guide2_dXY_1667264338.hd_vd" Detector: Guide_time_I=2.19432e+06 Guide_time_ERR=3044.84 Guide_time_N=2.57164e+06 "Guide_time_1667264338.t" Detector: Ideal_Det_I=2073.88 Ideal_Det_ERR=5.5924 Ideal_Det_N=769550 "Ideal_Det_1667264338.A_t" [r6n22.esss.dk:4136763] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4136763] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Finally [HZB_NEAT: 2]. Time: 4 [s] Detector: Detector_I=956.286 Detector_ERR=3.8614 Detector_N=342959 "NEAT.psd" Finally [HZB_NEAT: 2]. Time: 4 [s] Isotropic_Sqw: Sample: 12605 neutron events (out of 85000) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 1365 neutron events (out of 72395) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0335845 of incoming intensity Absorption fraction =0.483526 Single scattering intensity =1947.13 (coh=1157.63 inc=789.503) Multiple scattering intensity =203.062 INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/HZB_NEAT/HZB_NEAT.instr in dataset 2