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_H53_IN14.c INFO: Using existing binary: ./ILL_H53_IN14.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_H53_IN14' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H53_IN14/ILL_H53_IN14.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. templateTAS: Detailed TAS configuration * Incoming beam: EI=4.978 [meV] KI=1.55 [Angs-1] Vi=975.915 [m/s] * Outgoing beam: EF=4.978 [meV] KF=1.55 [Angs-1] Vf=975.915 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=37.17 A2=74.33 A3=0 A4=-37.64 A5=37.17 A6=74.33 [deg] Monochromator: DM=3.355 [Angs] RMH=0 [m] RMV=1.966 [m] curved Analyzer: DA=3.355 [Angs] RAH=1.534 [m] RAV=0 [m] curved Sample: Powder V.lau ILL_H53_IN14: Incoming wavelength lambda=4.05367 [Angs] templateTAS: Detailed TAS configuration * Incoming beam: EI=4.978 [meV] KI=1.55 [Angs-1] Vi=975.915 [m/s] * Outgoing beam: EF=4.978 [meV] KF=1.55 [Angs-1] Vf=975.915 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=37.17 A2=74.33 A3=0 A4=-37.64 A5=37.17 A6=74.33 [deg] Monochromator: DM=3.355 [Angs] RMH=0 [m] RMV=1.966 [m] curved Analyzer: DA=3.355 [Angs] RAH=1.534 [m] RAV=0 [m] curved Sample: Powder V.lau ILL_H53_IN14: Incoming wavelength lambda=4.05367 [Angs] Monitor_nD: Mon_VS_XY: Using capture flux weightening on 64000 bins. WARNING Use binned data with caution, and prefer monitor integral value (I,Ierr). Source_gen: component HCS (square 0.1 x 0.1) focusing distance dist=2.155 area=0.06 x 0.12 spectra 3.993 to 4.114 AA (4.833 to 5.131 meV) T1=413.5 K (1.515 AA), T2=145.8 K (2.552 AA), T3=40.1 K (4.865 AA) Flux is dPhi/dlambda in [n/s/cm2]. Monitor_nD: Mon_VS_XY: Using capture flux weightening on 64000 bins. WARNING Use binned data with caution, and prefer monitor integral value (I,Ierr). 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) *** TRACE end *** Detector: Mon_VS_L_I=4.07739e+08 Mon_VS_L_ERR=493030 Mon_VS_L_N=1.48305e+06 "mon_vs_l.dat" Detector: Mon_VS_XY_I=9.18927e+08 Mon_VS_XY_ERR=1.11097e+06 Mon_VS_XY_N=1.48305e+06 "mon_vs_xy.dat" Detector: Mon_VS1_L_I=3.70904e+08 Mon_VS1_L_ERR=467571 Mon_VS1_L_N=1.42518e+06 "Mon_VS1_L_1667264549.L" Detector: Mon_VS2_L_I=3.48501e+08 Mon_VS2_L_ERR=452271 Mon_VS2_L_N=1.39582e+06 "Mon_VS2_L_1667264549.L" Detector: D4_SC2_1D_I=3.74549e+09 D4_SC2_1D_ERR=3.90402e+06 D4_SC2_1D_N=2.22112e+06 "D4_SC2_1D_1667264549.L" Detector: Sample_Cradle_I=7.52549e+07 Sample_Cradle_ERR=129427 Sample_Cradle_N=770650 "Sample_Cradle" Detector: D7_SC3_1D_I=6.57978e+08 D7_SC3_1D_ERR=503530 D7_SC3_1D_N=1.64385e+07 "D7_SC3_1D_1667264549.th_E" Detector: He3H_I=464.917 He3H_ERR=5.90888 He3H_N=29611 "He3H.psd" Isotropic_Sqw: Sample: 1429 neutron events (out of 70154) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.365737 of incoming intensity Absorption fraction =0.698682 Single scattering intensity =67127.1 (coh=3624.48 inc=63502.6) Multiple scattering intensity =0 [r6n22.esss.dk:4139272] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4139272] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H53_IN14/ILL_H53_IN14.instr in dataset 1