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: ./Test_Sqw_monitor.c INFO: Using existing binary: ./Test_Sqw_monitor.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_Sqw_monitor' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/Test_Sqw_monitor/Test_Sqw_monitor.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_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Isotropic_Sqw: Sample_in: is a hollow cylinder: radius=0.005000 thickness=0.001000 height=0.030000 [J Comp Phys 228 (2009) 5251] Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample_in: Temperature set to T=350 [K] Isotropic_Sqw: Sample_in: S(q,w) data from Rb_liq_inc.sqw (inc) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample_in: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_inc.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample_in: Generated Rb_liq_inc.sqw incoherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.985192 size=[101x10185] sigma=0.5 [barns] normalization factor S(q,w)*0.492586 (auto) \int q^2 S(q) dq=676.701 Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample_in: Temperature set to T=350 [K] Isotropic_Sqw: Sample_in: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample_in: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample_in: Generated Rb_liq_coh.sqw coherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.887933 size=[101x10185] sigma=6.32 [barns] normalization factor S(q,w)*0.477012 (auto) \int q^2 S(q) dq=698.369 [r6n22.esss.dk:4151337] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4151337] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) *** TRACE end *** Save [Test_Sqw_monitor] Detector: SampleIn_I=1.14062e-06 SampleIn_ERR=1.61498e-10 SampleIn_N=4.98902e+07 "SampleIn_1667267532.x_y" Detector: Detector_nM_I=1.32805e-08 Detector_nM_ERR=1.12014e-11 Detector_nM_N=1.64233e+07 "Sqw_map.dat" Detector: Detector_nM_coh_I=7.38889e-09 Detector_nM_coh_ERR=2.93132e-12 Detector_nM_coh_N=1.05195e+07 "Sqw_single.dat" Detector: Detector_nM_inc_I=6.08871e-10 Detector_nM_inc_ERR=8.41794e-13 Detector_nM_inc_N=861341 "Sqw_inc.dat" Detector: Detector_nM_multi_I=1.21514e-10 Detector_nM_multi_ERR=1.32384e-13 Detector_nM_multi_N=2.69928e+06 "Sqw_multi.dat" Detector: Detector_nM_env_I=5.24236e-09 Detector_nM_env_ERR=1.07778e-11 Detector_nM_env_N=5.70276e+06 "Sqw_env.dat" Detector: M_total_I=5.96422e-09 M_total_ERR=7.35412e-12 M_total_N=7.53296e+06 "M_total_1667267537.A_t" Detector: M_single_coh_I=3.41656e-09 M_single_coh_ERR=1.99471e-12 M_single_coh_N=4.88132e+06 "M_single_coh_1667267537.A_t" Detector: M_single_inc_I=2.9155e-10 M_single_inc_ERR=5.82322e-13 M_single_inc_N=411167 "M_single_inc_1667267537.A_t" Detector: M_multi_I=5.7396e-11 M_multi_ERR=9.09903e-14 M_multi_N=1.27163e+06 "M_multi_1667267537.A_t" Finally [Test_Sqw_monitor: 2]. Time: 9 [s] Detector: M_env_container_I=2.2373e-09 M_env_container_ERR=7.05412e-12 M_env_container_N=2.55694e+06 "M_env_container_1667267537.A_t" Finally [Test_Sqw_monitor: 2]. Time: 9 [s] Isotropic_Sqw: Environment_in: 13777 neutron events (out of 162729) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Container_in: 19 neutron events (out of 151165) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: 12817 neutron events (out of 78684) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 1881 neutron events (out of 65867) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.0207393 of incoming intensity Absorption fraction =0.0484578 Single scattering intensity =5.92392e-11 (coh=2.17065e-11 inc=3.75327e-11) Multiple scattering intensity =2.77933e-12 Isotropic_Sqw: Container_out: 6 neutron events (out of 181317) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Container_out: 82 neutron events (out of 181311) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_out: 5 neutron events (out of 118498) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Environment_out: 16311 neutron events (out of 118493) reached WARNING unrealistic weight. The S(q,w) norm might be too high. INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/Test_Sqw_monitor/Test_Sqw_monitor.instr in dataset 2