loading system configuration 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_H512_D22.c INFO: Using existing binary: ./ILL_H512_D22.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_H512_D22' (/users/willend/TESTS/2023-03-01/McStas_DUAL_A100_DMSC_5e7/ILL_H512_D22/ILL_H512_D22.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1). Have found 2 GPU devices on rank 1. Will use device 1. Have found 2 GPU devices on rank 0. Will use device 0. ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq [ILL_H512_D22] Initialize ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq [ILL_H512_D22] Initialize Source_gen: component HCS (square 0.1 x 0.1) focusing distance dist=2.155 area=0.123 x 0.12 spectra 4.050 to 4.950 AA (3.339 to 4.988 meV) T1=40.1 K (4.865 AA), T2=145.8 K (2.552 AA), T3=413.5 K (1.515 AA) Flux is dPhi/dlambda in [n/s/cm2]. Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al: Reading 26 rows from Al.laz PowderN: HCS_Al: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_4: Reading 26 rows from Al.laz PowderN: HCS_Al_4: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_4: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_5: Reading 26 rows from Al.laz PowderN: HCS_Al_5: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_5: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_6: Reading 26 rows from Al.laz PowderN: HCS_Al_6: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_6: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_7: Reading 26 rows from Al.laz PowderN: HCS_Al_7: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_7: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_15: Reading 26 rows from Al.laz PowderN: HCS_Al_15: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_15: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_17: Reading 26 rows from Al.laz PowderN: HCS_Al_17: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_17: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H51: Reading 26 rows from Al.laz PowderN: HCS_Al_H51: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H51: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H512: Reading 26 rows from Al.laz PowderN: HCS_Al_H512: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H512: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_45: Reading 26 rows from Al.laz PowderN: HCS_Al_45: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_45: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_50: Reading 26 rows from Al.laz PowderN: HCS_Al_50: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_50: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_52: Reading 26 rows from Al.laz PowderN: HCS_Al_52: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_52: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Isotropic_Sqw: H51_D22_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H51_D22_Sample: Computing scattering unit density V_rho=0.0332279 [AA^-3] from density=0.994 [g/cm^3] weight=18.015 [g/mol]. Isotropic_sqw: Converting 150 S(q) from H2O_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:14.8], creating 150 elements vector Isotropic_Sqw: H51_D22_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H51_D22_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H51_D22_Sample: Generated H2O_liq.qSq coherent Sqw q=[0:14.8 Angs-1] w=[0:0 meV] |S|=1.49025 size=[152x1] sigma=7.751 [barns] Mainly elastic scattering. Isotropic_Sqw: H51_D22_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H51_D22_Sample: Focusing can only apply for single scattering. Setting to order=1. *** TRACE end *** Save [ILL_H512_D22] Detector: H5_I=6.10556e+12 H5_ERR=1.00203e+09 H5_N=3.83817e+07 "H5_1677633963.x_y" Detector: H51_origin_I=1.00343e+12 H51_origin_ERR=4.06345e+08 H51_origin_N=6.29007e+06 "H51_origin_1677633963.hd_vd" Detector: H51_Obt_Out_I=1.15581e+11 H51_Obt_Out_ERR=1.35176e+08 H51_Obt_Out_N=2.72764e+06 "H51_Obt_Out_1677633963.x_y" Detector: H51_S2_Out_I=8.88701e+10 H51_S2_Out_ERR=1.24291e+08 H51_S2_Out_N=2.32245e+06 "H51_S2_Out_1677633963.x_y" Detector: H51_split_2_I=4.107e+10 H51_split_2_ERR=8.46078e+07 H51_split_2_N=1.06424e+06 "H51_split_2_1677633963.x_y" Detector: H51_split_1_I=4.10071e+10 H51_split_1_ERR=8.45426e+07 H51_split_1_N=1.0638e+06 "H51_split_1_1677633963.x_y" Detector: H512_VTE_I=2.92894e+10 H512_VTE_ERR=7.32496e+07 H512_VTE_N=974221 "H512_VTE_1677633963.x_y" Detector: D22_PreV_I=2.40244e+10 D22_PreV_ERR=7.10331e+07 D22_PreV_N=696719 "D22_PreV_1677633963.x_y" Detector: H51_D22_Sample_Div_I=2.15267e+09 H51_D22_Sample_Div_ERR=1.7123e+07 H51_D22_Sample_Div_N=58325 "H51_D22_Sample_Div_1677633963.hd_vd" Detector: H51_D22_Sample_XY_I=2.15267e+09 H51_D22_Sample_XY_ERR=1.7123e+07 H51_D22_Sample_XY_N=58325 "H51_D22_Sample_XY_1677633963.x_y" Detector: H51_D22_Sample_L_I=2.15267e+09 H51_D22_Sample_L_ERR=1.7123e+07 H51_D22_Sample_L_N=58325 "H51_D22_Sample_L_1677633963.L" Detector: D22_Detector_I=1.893e+07 D22_Detector_ERR=258454 D22_Detector_N=21254 "D22_Detector_1677633963.x_y" Finally [ILL_H512_D22: 1]. Time: 2 [s] Finally [ILL_H512_D22: 1]. Time: 2 [s] Isotropic_Sqw: H51_D22_Sample: 364 neutron events (out of 34504) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.97337 of incoming intensity Absorption fraction =0.00975458 Single scattering intensity =3.37435e+07 (coh=3.39075e+06 inc=3.03528e+07) Multiple scattering intensity =0 [r6n22.esss.dk:1572301] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:1572301] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages INFO: Placing instr file copy /users/willend/TESTS/2023-03-01/McStas_DUAL_A100_DMSC_5e7/ILL_H512_D22/ILL_H512_D22.instr in dataset 1