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_H25_IN22.c INFO: Using existing binary: ./ILL_H25_IN22.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_H25_IN22' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H25_IN22/ILL_H25_IN22.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_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] Instrument: ILL_H25 (H25@ILL thermal guide). [ILL_H25_IN22] Initialize templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] [ILL_H25_IN22] Initialize Source_gen: component Thermal (square 0.14 x 0.22) focusing distance dist=3.18 area=0.038 x 0.2 spectra 1.612 to 1.661 AA (29.660 to 31.495 meV) T1=683.7 K (1.178 AA), T2=257.7 K (1.919 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:4138961] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4138961] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages *** TRACE end *** Save [ILL_H25_IN22] Detector: GuideOut_xy_I=1.67737e+07 GuideOut_xy_ERR=20417.1 GuideOut_xy_N=2.1804e+06 "GuideOut_xy_1667264518.x_y" Detector: GuideOut_dxdy_I=1.67737e+07 GuideOut_dxdy_ERR=20417.1 GuideOut_dxdy_N=2.1804e+06 "GuideOut_dxdy_1667264518.hd_vd" Detector: GuideOut_Phic_I=1.52594e+07 GuideOut_Phic_ERR=18571 GuideOut_Phic_N=2.1804e+06 "GuideOut_Phic" Detector: GuideOut_L_I=1.67737e+07 GuideOut_L_ERR=20417.1 GuideOut_L_N=2.1804e+06 "GuideOut_L_1667264518.L" Detector: D4_SC2_1D_I=8.44122e+08 D4_SC2_1D_ERR=507383 D4_SC2_1D_N=6.15118e+06 "D4_SC2_1D_1667264518.L" Detector: Sample_Cradle_I=4.62476e+07 Sample_Cradle_ERR=28889.9 Sample_Cradle_N=5.43397e+06 "Sample_Cradle" Detector: D7_SC3_1D_I=1.88411e+08 D7_SC3_1D_ERR=117626 D7_SC3_1D_N=4.97135e+07 "D7_SC3_1D_1667264518.th_E" Finally [ILL_H25_IN22: 1]. Time: 6 [s] Detector: He3H_I=205.875 He3H_ERR=1.46979 He3H_N=107384 "He3H.psd" Finally [ILL_H25_IN22: 1]. Time: 6 [s] Isotropic_Sqw: Sample: Scattering fraction=0.363643 of incoming intensity Absorption fraction =0.471286 Single scattering intensity =35073.2 (coh=3118.05 inc=31955.1) Multiple scattering intensity =0 INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H25_IN22/ILL_H25_IN22.instr in dataset 1