loading system configuration 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: ./ILL_BRISP.c INFO: Using existing binary: ./ILL_BRISP.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 'ILL_BRISP' (/users/willend/TESTS/2023-03-01/McStas_DUAL_A100_DMSC_5e7/ILL_BRISP/ILL_BRISP.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1). Have found 2 GPU devices on rank 0. Will use device 0. Have found 2 GPU devices on rank 1. Will use device 1. Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 [ILL_BRISP] Initialize CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 [ILL_BRISP] Initialize Isotropic_Sqw: Environment_in: is a hollow cylinder: radius=0.050000 thickness=0.002000 height=0.100000 [J Comp Phys 228 (2009) 5251] Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Isotropic_sqw: Environment_in: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 2204 powder lines from Al.lau into S(q,w) data Isotropic_sqw: q range [0:12.5088], creating 389 elements vector Isotropic_Sqw: Environment_in: Generated Al.lau coherent Sqw q=[0:12.4767 Angs-1] w=[0:0 meV] |S|=11.5875 size=[389x1] sigma=5.98 [barns] Mainly elastic scattering. Isotropic_Sqw: Environment_in: Using Isotropic elastic incoherent scattering (sigma=0.0328 [barns]) Isotropic_Sqw: Environment_in: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: Container_in: is a hollow box: width=0.050200 height=0.050200 depth=0.004200 Isotropic_Sqw: Container_in: ERROR importing data files (Sqw_init coh=NULL inc=). Isotropic_Sqw: Container_in: Scattering cross section is zero ERROR (sigma_coh, sigma_inc). Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.050000 depth=0.004000 Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Isotropic_sqw: Sample: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 3558 powder lines from V.lau into S(q,w) data Isotropic_sqw: q range [0:25.0197], creating 423 elements vector Isotropic_Sqw: Sample: Generated V.lau coherent Sqw q=[0:24.9605 Angs-1] w=[0:0 meV] |S|=0.869429 size=[423x1] sigma=0.01834 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=5.07999 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: Container_out: is a hollow box: width=0.050200 height=0.050200 depth=0.004200 Isotropic_Sqw: Container_out: ERROR importing data files (Sqw_init coh=NULL inc=). Isotropic_Sqw: Container_out: Scattering cross section is zero ERROR (sigma_coh, sigma_inc). Isotropic_Sqw: Environment_out: is a hollow cylinder: radius=0.050000 thickness=0.002000 height=0.100000 [J Comp Phys 228 (2009) 5251] Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Isotropic_sqw: Environment_out: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 2204 powder lines from Al.lau into S(q,w) data Isotropic_sqw: q range [0:12.5088], creating 389 elements vector Isotropic_Sqw: Environment_out: Generated Al.lau coherent Sqw q=[0:12.4767 Angs-1] w=[0:0 meV] |S|=11.5875 size=[389x1] sigma=5.98 [barns] Mainly elastic scattering. Isotropic_Sqw: Environment_out: Using Isotropic elastic incoherent scattering (sigma=0.0328 [barns]) Isotropic_Sqw: Environment_out: Sample temperature not defined (T=0). Warning Disabling detailed balance. [r6n22.esss.dk:1570002] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:1570002] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages *** TRACE end *** Save [ILL_BRISP] Detector: LmonokOUT_I=6.02592e+08 LmonokOUT_ERR=95870 LmonokOUT_N=5.04911e+07 "LmonokOUT_1677633764.L" Detector: Monitor1_I=6.01887e+08 Monitor1_ERR=95820.4 Monitor1_N=5.04155e+07 "Monitor1_1677633764.x_y" Detector: DC_OUT_T_I=1.02021e+07 DC_OUT_T_ERR=7198.11 DC_OUT_T_N=2.55528e+06 "DC_OUT_T_1677633764.t" Detector: HC_OUT_PSD_I=1.98832e+07 HC_OUT_PSD_ERR=10776.7 HC_OUT_PSD_N=3.62761e+06 "HC_OUT_PSD_1677633764.x_y" Detector: FC_OUT_T_I=34848.8 FC_OUT_T_ERR=32.8371 FC_OUT_T_N=1.20111e+06 "FC_OUT_T_1677633764.t" Detector: SampleXY_I=2835.79 SampleXY_ERR=3.11272 SampleXY_N=887664 "SampleXY_1677633764.x_y" Detector: Detector_I=29.0448 Detector_ERR=0.443579 Detector_N=351363 "Detector_1677633764.x_y" Detector: Detector_Q_I=28.9696 Detector_Q_ERR=0.443339 Detector_Q_N=350323 "Detector_Q_1677633764.U1" Detector: Detector_E_I=28.8575 Detector_E_ERR=0.442896 Detector_E_N=349232 "Detector_E_1677633764.U1" Finally [ILL_BRISP: 1]. Time: 5 [s] Detector: Detector_QE_I=28.7777 Detector_QE_ERR=0.442627 Detector_QE_N=348126 "Detector_QE_1677633764.U1_U2" Finally [ILL_BRISP: 1]. Time: 5 [s] Isotropic_Sqw: Environment_in: 140168 neutron events (out of 320287) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_in: Scattering fraction=0.486781 of incoming intensity Absorption fraction =0.00489283 Single scattering intensity =323.929 (coh=323.645 inc=0.283818) Multiple scattering intensity =0 Isotropic_Sqw: Sample: 65 neutron events (out of 265181) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.14281 of incoming intensity Absorption fraction =0.536952 Single scattering intensity =18.721 (coh=0.615635 inc=18.1054) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 150082 neutron events (out of 329295) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_out: Scattering fraction=0.506908 of incoming intensity Absorption fraction =0.00488815 Single scattering intensity =135.541 (coh=134.972 inc=0.56955) Multiple scattering intensity =0 INFO: Placing instr file copy /users/willend/TESTS/2023-03-01/McStas_DUAL_A100_DMSC_5e7/ILL_BRISP/ILL_BRISP.instr in dataset 1