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: ./ILL_H142_IN12.c INFO: Using existing binary: ./ILL_H142_IN12.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_H142_IN12' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H142_IN12/ILL_H142_IN12.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_H142 (H142@ILL cold guide on VCS). templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.019 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.61 [m] RAV=0 [m] curved Sample: Powder V.lau ILL_H142_IN12: Incoming wavelength lambda=2.36033 [Angs] Instrument: ILL_H142 (H142@ILL cold guide on VCS). templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.019 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.61 [m] RAV=0 [m] curved Sample: Powder V.lau ILL_H142_IN12: Incoming wavelength lambda=2.36033 [Angs] [ILL_H142_IN12] Initialize [ILL_H142_IN12] Initialize Source_gen: component VCS (square 0.14 x 0.22) focusing distance dist=2.525 area=0.038 x 0.2 spectra 2.325 to 2.396 AA (14.254 to 15.135 meV) T1=216.8 K (2.093 AA), T2=33.9 K (5.292 AA), T3=16.7 K (7.539 AA) Flux is dPhi/dlambda in [n/s/cm2]. Monitor_nD: GuideOut_dxdy is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: Sample: is a hollow cylinder: radius=0.010000 thickness=0.005000 height=0.050000 [J Comp Phys 228 (2009) 5251] 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. Reusing input file 'HOPG.rfl' (Table_Read_Offset) [r6n22.esss.dk:4137694] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4137694] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages *** TRACE end *** Save [ILL_H142_IN12] Detector: GuideOut_xy_I=2.93046e+06 GuideOut_xy_ERR=11255 GuideOut_xy_N=1.38252e+06 "GuideOut_xy_1667264422.x_y" Detector: GuideOut_dxdy_I=2.93046e+06 GuideOut_dxdy_ERR=11255 GuideOut_dxdy_N=1.38252e+06 "GuideOut_dxdy_1667264422.hd_vd" Detector: GuideOut_Phic_I=3.84879e+06 GuideOut_Phic_ERR=14784.4 GuideOut_Phic_N=1.38252e+06 "GuideOut_Phic" Detector: GuideOut_L_I=2.93046e+06 GuideOut_L_ERR=11255 GuideOut_L_N=1.38252e+06 "GuideOut_L_1667264422.L" Detector: D4_SC2_1D_I=4.69049e+07 D4_SC2_1D_ERR=85909.7 D4_SC2_1D_N=4.45242e+06 "D4_SC2_1D_1667264422.L" Detector: Sample_Cradle_I=2.22063e+06 Sample_Cradle_ERR=4569.02 Sample_Cradle_N=3.55077e+06 "Sample_Cradle" Detector: D7_SC3_1D_I=8.61037e+06 D7_SC3_1D_ERR=16399.8 D7_SC3_1D_N=3.51771e+07 "D7_SC3_1D_1667264422.th_E" Detector: He3H_I=12.7761 He3H_ERR=0.230214 He3H_N=114353 "He3H.psd" Finally [ILL_H142_IN12: 1]. Time: 6 [s] Finally [ILL_H142_IN12: 1]. Time: 6 [s] Isotropic_Sqw: Sample: 323 neutron events (out of 171297) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.358455 of incoming intensity Absorption fraction =0.567736 Single scattering intensity =1592.63 (coh=107.223 inc=1485.4) Multiple scattering intensity =0 INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H142_IN12/ILL_H142_IN12.instr in dataset 1