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_IN4.c INFO: Using existing binary: ./ILL_IN4.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_IN4' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_IN4/ILL_IN4.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. ILL_IN4: Thermal ToF spectrometer Divergence at the lead shutter: dX =2.2026 [deg] Take-off at monochromator: A1 =-20.964 [deg] ; DM=1.677 [Angs] Incident energy: Ei =56.8085 [meV] ; Ki=5.23599 [Angs-1] Incident velocity: Vi =3296.7 [m/s] Source-Mono distance: LRM =10.2086 [m] Virtual Source-Mono distance: d0 =3.52555 [m] Mono-Sample distance: LMS =1.94553 [m] (d1) Curvature at monochromator: RMH =-7.00816 [m] ; RMV=-1.9 [m] Fermi Chopper Frequency: nu =335.376 [Hz] ; rpm=20122.6 [rpm] BC2 phase wrt BC1: PhiBC2=-22.5 [deg] L12=2.45746 [m] delay t12=0.000745432 [s] (BCTR) FC phase wrt BC1: PhiFC =-196.999 [deg] L1F=5.37909 [m] delay t1F=0.00163166 [s] Distances: in [m] [H12] 6.1 [BC1] 0.583 [VS] 1.87446 [BC2] 1.65109 [PG] 1.27053 [FC] 0.675 [Spl] 2 [Det] ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. [ILL_IN4] Initialize Generate 100 Dirac peaks on (q,w) grid. ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. [ILL_IN4] Initialize Source_gen: component Thermal (square 0.1 x 0.1) focusing distance dist=5.2 area=0.1 x 0.1 spectra 1.100 to 1.300 AA (48.408 to 67.612 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]. Source_gen: component Thermal2 (square 0.1 x 0.1) focusing distance dist=5.2 area=0.1 x 0.1 spectra 0.500 to 0.700 AA (166.959 to 327.240 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]. Source_gen: component Thermal3 (square 0.1 x 0.1) focusing distance dist=5.2 area=0.1 x 0.1 spectra 0.300 to 0.500 AA (327.240 to 909.000 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]. Source_gen: component Thermal4 (square 0.1 x 0.1) focusing distance dist=5.2 area=0.1 x 0.1 spectra 0.200 to 0.400 AA (511.312 to 2045.250 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]. Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al2O3_sapphire.trm' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.rfl' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.trm' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.laz' (Table_Read_Offset) Isotropic_Sqw: SampleS: is a box: width=0.050000 height=0.050000 depth=0.001000 Opening input file 'Dirac2D.sqw' (Table_Read_Offset) Opening input file 'Dirac2D.sqw' (Table_Read_Offset) Opening input file 'Dirac2D.sqw' (Table_Read_Offset) Opening input file 'Dirac2D.sqw' (Table_Read_Offset) Isotropic_Sqw: SampleS: Computing scattering unit density V_rho=0.602214 [AA^-3] from density=1 [g/cm^3] weight=1 [g/mol]. Isotropic_Sqw: SampleS: S(q,w) data from Dirac2D.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: SampleS: Generated Dirac2D.sqw coherent Sqw q=[0:15.6923 Angs-1] w=[0:283.758 meV] |S|=0.284838 size=[1000x1999] sigma=1 [barns] normalization factor S(q,w)*21.4141 (auto) \int q^2 S(q) dq=59.5952 Isotropic_Sqw: SampleS: Sample temperature not defined (T=0). Warning Disabling detailed balance. Incoherent: SampleV: The target is not defined. Using direct beam (Z-axis). Incoherent: SampleV: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) [r6n22.esss.dk:4139636] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4139636] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages *** TRACE end *** Save [ILL_IN4] Detector: Obt1_I=1.11562e+11 Obt1_ERR=1.78051e+07 Obt1_N=3.92706e+07 "Obt1_1667264594.x_y" Detector: Obt1_lambda_I=1.41493e+11 Obt1_lambda_ERR=2.00515e+07 Obt1_lambda_N=4.98082e+07 "Obt1_lambda_1667264594.L" Detector: Win1_I=9.98114e+10 Win1_ERR=1.49063e+07 Win1_N=4.4845e+07 "Win1_1667264594.x_y" Detector: Win1_lambda_I=5.73545e+10 Win1_lambda_ERR=1.12998e+07 Win1_lambda_N=2.57681e+07 "Win1_lambda_1667264594.L" Detector: BC2_t_I=1.70584e+10 BC2_t_ERR=4.35772e+06 BC2_t_N=1.53267e+07 "BC2_t_1667264594.t" Detector: BC2_t_post_I=1.55086e+10 BC2_t_post_ERR=4.15518e+06 BC2_t_post_N=1.39333e+07 "BC2_t_post_1667264594.t" Detector: Cradle_I=1.56119e+10 Cradle_ERR=4.169e+06 Cradle_N=1.40262e+07 "Cradle_1667264594.x_y" Detector: Cradle_lambda_I=1.56119e+10 Cradle_lambda_ERR=4.169e+06 Cradle_lambda_N=1.40262e+07 "Cradle_lambda_1667264594.L" Detector: Cradle_t_I=1.56086e+10 Cradle_t_ERR=4.16854e+06 Cradle_t_N=1.40232e+07 "Cradle_t_1667264594.t" Detector: Mono_xy_I=1.56119e+10 Mono_xy_ERR=4.169e+06 Mono_xy_N=1.40262e+07 "Mono_xy_1667264594.x_y" Detector: Mono_t_I=2.07128e+09 Mono_t_ERR=480900 Mono_t_N=1.8554e+07 "Mono_t_1667264594.t" Detector: FC_Pos_I=5.19544e+08 FC_Pos_ERR=241377 FC_Pos_N=4.63302e+06 "FC_Pos_1667264594.t" Detector: sample_flux_I=4.38941e+06 sample_flux_ERR=2162.71 sample_flux_N=4.1193e+06 "sample_flux_1667264594.x_y" Detector: sample_tof_I=9.11571e+06 sample_tof_ERR=4407.48 sample_tof_N=4.2777e+06 "sample_tof_1667264594.x_t" Detector: sample_lambda_I=9.11571e+06 sample_lambda_ERR=4407.48 sample_lambda_N=4.2777e+06 "sample_lambda_1667264594.L" Detector: sample_w_I=9.11571e+06 sample_w_ERR=4407.48 sample_w_N=4.2777e+06 "sample_w_1667264594.E" Detector: sample_qxy_I=9.06053e+06 sample_qxy_ERR=4394.12 sample_qxy_N=4.2518e+06 "sample_qxy_1667264594.kx_ky" Detector: Detector_I=5.4972e+06 Detector_ERR=8012.71 Detector_N=3.34068e+06 "Detector_1667264595.th_y" Detector: Detector_sample_I=86583.2 Detector_sample_ERR=87.4197 Detector_sample_N=2.06674e+06 "Detector_sample_1667264595.th_y" Detector: Detector_env_I=8076.07 Detector_env_ERR=145.453 Detector_env_N=14495 "Detector_env_1667264595.th_y" Detector: Detector_Sqw_I=18580.9 Detector_Sqw_ERR=43.1816 Detector_Sqw_N=220755 "Sqw_full.dat" Detector: Detector_qe_I=74505.9 Detector_qe_ERR=88.4876 Detector_qe_N=852944 "Detector_qe_1667264595.A_E" Detector: Detector_SqwV_I=29329 Detector_SqwV_ERR=26.1641 Detector_SqwV_N=1.57106e+06 "Sqw_filtered.dat" Detector: Detector_qeV_I=29197.1 Detector_qeV_ERR=26.1066 Detector_qeV_N=1.56346e+06 "Detector_qeV_1667264595.A_E" Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Isotropic_Sqw: SampleS: 44520 neutron events (out of 82587) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: SampleS: Scattering fraction=0.0880526 of incoming intensity Absorption fraction =0 Single scattering intensity =3372.38 (coh=3372.38 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 1 neutron events (out of 10216) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_IN4/ILL_IN4.instr in dataset 1