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_H16_IN5.c INFO: Using existing binary: ./ILL_H16_IN5.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_H16_IN5' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_H16_IN5/ILL_H16_IN5.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_H16 (H16@ILL cold guide on VCS). Total lenght Source - Sample = 47.810170 [m]. Instrument: ILL_IN5 (IN5 disk chopper time-of-flight spectrometer). Wavelength lambda=4.5 [Angs] Chopper 0: L=0.000000 [m] V=890.117919 [rad/s] Phase=0.000000 [mu-sec] op-times(0.000000+n*0.003529)s +/- 0.000176 Chopper 1: L=5.308300 [m] V=890.117919 [rad/s] Phase=6038.204920 [mu-sec] op-times(0.006038+n*0.003529)s +/- 0.000176 Chopper 2: L=5.458300 [m] V=890.117919 [rad/s] Phase=6208.830306 [mu-sec] op-times(0.006209+n*0.003529)s +/- 0.000176 Chopper 3: L=12.428900 [m] V=445.058959 [rad/s] Phase=14137.905757 [mu-sec] op-times(0.014138+n*0.007059)s +/- 0.000373 Chopper 4: L=12.483900 [m] V=890.117919 [rad/s] Phase=14200.468398 [mu-sec] op-times(0.014200+n*0.003529)s +/- 0.000186 Chopper 5: L=13.253900 [m] V=890.117919 [rad/s] Phase=15076.345381 [mu-sec] op-times(0.015076+n*0.003529)s +/- 0.000064 Chopper 6: L=13.308900 [m] V=890.117919 [rad/s] Phase=15138.908023 [mu-sec] op-times(0.015139+n*0.003529)s +/- 0.000064 [ILL_H16_IN5] Initialize Instrument: ILL_H16 (H16@ILL cold guide on VCS). Total lenght Source - Sample = 47.810170 [m]. Instrument: ILL_IN5 (IN5 disk chopper time-of-flight spectrometer). Wavelength lambda=4.5 [Angs] Chopper 0: L=0.000000 [m] V=890.117919 [rad/s] Phase=0.000000 [mu-sec] op-times(0.000000+n*0.003529)s +/- 0.000176 Chopper 1: L=5.308300 [m] V=890.117919 [rad/s] Phase=6038.204920 [mu-sec] op-times(0.006038+n*0.003529)s +/- 0.000176 Chopper 2: L=5.458300 [m] V=890.117919 [rad/s] Phase=6208.830306 [mu-sec] op-times(0.006209+n*0.003529)s +/- 0.000176 Chopper 3: L=12.428900 [m] V=445.058959 [rad/s] Phase=14137.905757 [mu-sec] op-times(0.014138+n*0.007059)s +/- 0.000373 Chopper 4: L=12.483900 [m] V=890.117919 [rad/s] Phase=14200.468398 [mu-sec] op-times(0.014200+n*0.003529)s +/- 0.000186 Chopper 5: L=13.253900 [m] V=890.117919 [rad/s] Phase=15076.345381 [mu-sec] op-times(0.015076+n*0.003529)s +/- 0.000064 Chopper 6: L=13.308900 [m] V=890.117919 [rad/s] Phase=15138.908023 [mu-sec] op-times(0.015139+n*0.003529)s +/- 0.000064 [ILL_H16_IN5] Initialize Source_gen: component VCS (square 0.14 x 0.22) focusing distance dist=2.33 area=0.038 x 0.2 Monitor_nD: GuideOut_Phic: Using capture flux weightening on 64000 bins. WARNING Use binned data with caution, and prefer monitor integral value (I,Ierr). spectra 4.410 to 4.590 AA (3.883 to 4.207 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_Phic: Using capture flux weightening on 64000 bins. WARNING Use binned data with caution, and prefer monitor integral value (I,Ierr). Monitor_nD: Det_sample_t is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Isotropic_Sqw: SAMPLE: is a hollow cylinder: radius=0.015000 thickness=0.012500 height=0.060000 [J Comp Phys 228 (2009) 5251] Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Y3Fe5O12_YIG.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Y3Fe5O12_YIG.laz' (Table_Read_Offset) Isotropic_sqw: Converting 594 powder lines from Y3Fe5O12_YIG.laz into S(q,w) data Isotropic_sqw: q range [0:11.7751], creating 1678 elements vector Isotropic_Sqw: SAMPLE: Generated Y3Fe5O12_YIG.laz coherent Sqw q=[0:11.7681 Angs-1] w=[0:0 meV] |S|=0.0250511 size=[1678x1] sigma=1036.16 [barns] Mainly elastic scattering. Isotropic_Sqw: SAMPLE: Using Isotropic elastic incoherent scattering (sigma=19.672 [barns]) Isotropic_Sqw: SAMPLE: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: SAMPLE: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Fe.laz' (Table_Read_Offset) Table from file 'Fe.laz' (block 1) is 17 x 18 (x=1:5), constant step. interpolation: linear '# TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] [Iron alpha phase];# ...' PowderN: hous: Reading 17 rows from Fe.laz PowderN: hous: Read 17 reflections from file 'Fe.laz' PowderN: hous: Vc=24.04 [Angs] sigma_abs=5.12 [barn] sigma_inc=0.8 [barn] reflections=Fe.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) *** TRACE end *** Save [ILL_H16_IN5] Detector: GuideOut_xy_I=1.15252e+08 GuideOut_xy_ERR=92597.1 GuideOut_xy_N=6.22865e+06 "GuideOut_xy_1667264442.x_y" Detector: GuideOut_dxdy_I=1.15252e+08 GuideOut_dxdy_ERR=92597.1 GuideOut_dxdy_N=6.22865e+06 "GuideOut_dxdy_1667264442.hd_vd" Detector: GuideOut_Phic_I=2.8838e+08 GuideOut_Phic_ERR=231653 GuideOut_Phic_N=6.22865e+06 "GuideOut_Phic_1667264442.x_y" Detector: GuideOut_L_I=1.15252e+08 GuideOut_L_ERR=92597.1 GuideOut_L_N=6.22865e+06 "GuideOut_L_1667264442.L" Detector: Det_sample_t_I=3.32873e+07 Det_sample_t_ERR=124756 Det_sample_t_N=130401 "Det_sample_t_1667264442.t" Detector: Det_ideal_ay_I=1.22224e+06 Det_ideal_ay_ERR=7614.17 Det_ideal_ay_N=46686 "Det_ideal_ay_1667264442.th_y" Detector: Det_PSD_I=1.194e+06 Det_PSD_ERR=10836.7 Det_PSD_N=23750 "in5det.dat" Detector: in5_t_I=2.36049e+06 in5_t_ERR=21280.6 in5_t_N=59856 "in5_t_1667264442.t" Finally [ILL_H16_IN5: 1]. Time: 1 [s] Finally [ILL_H16_IN5: 1]. Time: 1 [s] Isotropic_Sqw: SAMPLE: 65 neutron events (out of 23451) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: SAMPLE: Scattering fraction=0.432913 of incoming intensity Absorption fraction =0.462096 Single scattering intensity =431798 (coh=231496 inc=200302) Multiple scattering intensity =0 [r6n22.esss.dk:4138000] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4138000] 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_H16_IN5/ILL_H16_IN5.instr in dataset 1