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_IN6.c INFO: Using existing binary: ./ILL_IN6.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_IN6' (/users/willend/TESTS/2022-10-01/McStas_DUAL_A100_DMSC_5e7/ILL_IN6/ILL_IN6.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 Simulation ILL_IN6 (/users/willend/TESTS/2022-10-01/McStas_DUAL_A100_DMSC_5e7/ILL_IN6/ILL_IN6.instr) using computed monochromator take-off angles: 75.4011 76.1933 76.9908 [deg] Wavelength [AA] 4.14 Neutron velocity [m/s] 955.564 Monochr. Bragg angle [deg] 38.0966 Incident Energy [meV] 4.77282 Focusing Energy transfer[meV] 0 Travel time: Supp./Fermi [us] 209.301 Travel time: Supp./Det. [us] 3294.39 TOF Delay [us] 282.75 TOF Dead Time [us] 2.37202 TOF Period (1 cycle) [us] 6034.37 TOF Channel width [us] 47.125 CHOP Fermi Phase [deg] -6.24325 CHOP Suppressor Phase [deg] 0 CHOP Fermi Speed [rpm] 4971.52 CHOP Suppressor Speed [rpm] 4971.52 Number of time channels 128 Current Elastic Peak Ch. 64 Elast. peak ch. for 0-delay 70 Time window: min=0.56114 max=6.59314 delay=0.28275 tof-width=6.032 [ms] [ILL_IN6] Initialize FermiChopper: Suppressor: Frequency nu=82.8587 [Hz] 4971.52 [rpm], time frame=0.0241375 [s] phase=0 [deg] FermiChopper: FermiM: Frequency nu=82.8587 [Hz] 4971.52 [rpm], time frame=0.0241375 [s] phase=-6.24325 [deg] Instrument Simulation ILL_IN6 (/users/willend/TESTS/2022-10-01/McStas_DUAL_A100_DMSC_5e7/ILL_IN6/ILL_IN6.instr) using computed monochromator take-off angles: 75.4011 76.1933 76.9908 [deg] Wavelength [AA] 4.14 Neutron velocity [m/s] 955.564 Monochr. Bragg angle [deg] 38.0966 Incident Energy [meV] 4.77282 Focusing Energy transfer[meV] 0 Travel time: Supp./Fermi [us] 209.301 Travel time: Supp./Det. [us] 3294.39 TOF Delay [us] 282.75 TOF Dead Time [us] 2.37202 TOF Period (1 cycle) [us] 6034.37 TOF Channel width [us] 47.125 CHOP Fermi Phase [deg] -6.24325 CHOP Suppressor Phase [deg] 0 CHOP Fermi Speed [rpm] 4971.52 CHOP Suppressor Speed [rpm] 4971.52 Number of time channels 128 Current Elastic Peak Ch. 64 Elast. peak ch. for 0-delay 70 Time window: min=0.56114 max=6.59314 delay=0.28275 tof-width=6.032 [ms] [ILL_IN6] Initialize Source_gen: component VCS (square 0.03 x 0.2) focusing distance dist=2.55 area=0.03 x 0.2 spectra 4.065 to 4.215 AA (4.605 to 4.951 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]. 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) Reusing input file 'HOPG.rfl' (Table_Read_Offset) Reusing input file 'HOPG.trm' (Table_Read_Offset) Reusing input file 'HOPG.rfl' (Table_Read_Offset) Reusing input file 'HOPG.trm' (Table_Read_Offset) FermiChopper: Suppressor: Frequency nu=82.8587 [Hz] 4971.52 [rpm], time frame=0.0241375 [s] phase=0 [deg] FermiChopper: FermiM: Frequency nu=82.8587 [Hz] 4971.52 [rpm], time frame=0.0241375 [s] phase=-6.24325 [deg] Isotropic_Sqw: Sample: is a hollow cylinder: radius=0.010000 thickness=0.005000 height=0.055000 [J Comp Phys 228 (2009) 5251] Isotropic_Sqw: Sample: Temperature set to T=350 [K] Isotropic_Sqw: Sample: S(q,w) data from Rb_liq_inc.sqw (inc) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_inc.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample: Generated Rb_liq_inc.sqw incoherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.985192 size=[101x10185] sigma=0.5 [barns] normalization factor S(q,w)*0.492586 (auto) \int q^2 S(q) dq=676.701 Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample: Temperature set to T=350 [K] Isotropic_Sqw: Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample: Generated Rb_liq_coh.sqw coherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.887933 size=[101x10185] sigma=6.32 [barns] normalization factor S(q,w)*0.477012 (auto) \int q^2 S(q) dq=698.369 [r6n22.esss.dk:799466] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:799466] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages *** TRACE end *** Save [ILL_IN6] Detector: Mon_SuppInL_I=7.28614e+09 Mon_SuppInL_ERR=631788 Mon_SuppInL_N=1.33425e+08 "Mon_SuppInL_1664582488.L" FermiChopper: Suppressor Mean velocity v = 954.884 [m/s] Mean wavelength lambda= 4.14295 [Angs] Mean energy omega = 4.76603 [meV] Mean arrival time t = 0.00228354 [s] Mean phase = 70.3027 [deg] (use phase=-(this value) to optimize) Slit pack divergence = 154.011 [deg] (full width) Opening time dt = 0.295824 [s] Intensity reaching FC = 1.81566e+09 [n/s] Intensity passing FC = 4.85138e+08 [n/s] FermiChopper: Suppressor: Lost events anaylsis Detector: Mon_SuppInT_I=7.67478e+09 Mon_SuppInT_ERR=649587 Mon_SuppInT_N=1.40048e+08 "Mon_SuppInT_1664582488.t" Already inside: 0 By Top/Bottom of cylinder: 3820445 At cylinder entrance: 23809961 Hit cyl. entrance sides: 0 Can't prop. to slit pack: 729204 At slit pack entrance: 6010898 On absorbing slit coating: 4690097 Exiting slit pack: 0 Too many iterations: 0 Prop. in wrong direction : 0 Mad neutron (no control): 100 At cylinder exit: 11560725 Warning: Can not reach slit wall: 0 Warning: Can not reach slit output: 1567 FermiChopper: Suppressor Mean velocity v = 954.889 [m/s] Mean wavelength lambda= 4.14293 [Angs] Mean energy omega = 4.76608 [meV] Mean arrival time t = 0.0022831 [s] Mean phase = 70.2895 [deg] (use phase=-(this value) to optimize) Slit pack divergence = 154.011 [deg] (full width) Opening time dt = 0.295824 [s] Intensity reaching FC = 1.81568e+09 [n/s] Intensity passing FC = 4.8526e+08 [n/s] FermiChopper: Suppressor: Lost events anaylsis Already inside: 0 By Top/Bottom of cylinder: 3818389 At cylinder entrance: 23818279 Hit cyl. entrance sides: 0 Can't prop. to slit pack: 728407 At slit pack entrance: 6003068 On absorbing slit coating: 4699070 Exiting slit pack: 0 Too many iterations: 0 Prop. in wrong direction : 0 Mad neutron (no control): 100 At cylinder exit: 11553182 Warning: Can not reach slit wall: 0 Warning: Can not reach slit output: 1550 FermiChopper: FermiM Mean velocity v = 957.078 [m/s] Mean wavelength lambda= 4.13345 [Angs] Mean energy omega = 4.78796 [meV] Mean arrival time t = 0.000160992 [s] Mean phase = 6.04894 [deg] (use phase=-(this value) to optimize) Slit pack divergence = 2.10061 [deg] (full width) Opening time dt = 0.00403485 [s] Intensity reaching FC = 3.17975e+08 [n/s] Intensity passing FC = 1.28611e+07 [n/s] FermiChopper: FermiM: Lost events anaylsis Already inside: 0 By Top/Bottom of cylinder: 648482 At cylinder entrance: 587170 Hit cyl. entrance sides: 0 Can't prop. to slit pack: 276 At slit pack entrance: 28278 On absorbing slit coating: 23919267 Exiting slit pack: 0 Too many iterations: 0 Prop. in wrong direction : 0 Mad neutron (no control): 0 At cylinder exit: 1892 Warning: Can not reach slit wall: 0 Warning: Can not reach slit output: 46 Detector: Mon_SuppOutT_I=9.63014e+08 Mon_SuppOutT_ERR=109597 Mon_SuppOutT_N=7.74708e+07 "Mon_SuppOutT_1664582488.t" FermiChopper: FermiM Mean velocity v = 957.081 [m/s] Mean wavelength lambda= 4.13344 [Angs] Mean energy omega = 4.78799 [meV] Mean arrival time t = 0.000160919 [s] Mean phase = 6.04673 [deg] (use phase=-(this value) to optimize) Slit pack divergence = 2.10061 [deg] (full width) Opening time dt = 0.00403485 [s] Intensity reaching FC = 3.18046e+08 [n/s] Intensity passing FC = 1.28676e+07 [n/s] FermiChopper: FermiM: Lost events anaylsis Already inside: 0 By Top/Bottom of cylinder: 649140 At cylinder entrance: 587235 Hit cyl. entrance sides: 0 Can't prop. to slit pack: 306 At slit pack entrance: 28472 On absorbing slit coating: 23923791 Exiting slit pack: 0 Too many iterations: 0 Prop. in wrong direction : 0 Mad neutron (no control): 0 At cylinder exit: 1875 Warning: Can not reach slit wall: 0 Warning: Can not reach slit output: 67 Detector: Mon_FermiOutdT_I=2.52894e+07 Mon_FermiOutdT_ERR=17753.2 Mon_FermiOutdT_N=2.03608e+06 "Mon_FermiOutdT_1664582488.t" Detector: MonokMonitor_I=66694.9 MonokMonitor_ERR=45.5791 MonokMonitor_N=2.14848e+06 "MonokMonitor_1664582488.U1_L" Detector: Mon_SampleInT_I=830680 Mon_SampleInT_ERR=643.412 Mon_SampleInT_N=1.6725e+06 "Mon_SampleInT_1664582488.t" Detector: Mon_SampleInXY_I=444632 Mon_SampleInXY_ERR=303.861 Mon_SampleInXY_N=2.14848e+06 "Mon_SampleInXY_1664582488.x_y" Detector: Out_I=706178 Out_ERR=297.275 Out_N=6.84417e+06 "out.dat" Detector: M_theta_t_all_I=121751 M_theta_t_all_ERR=123.864 M_theta_t_all_N=1.17927e+06 "M_theta_t_all_1664582494.A_E" Finally [ILL_IN6: 1]. Time: 14 [s] Detector: Detector_nM_I=229001 Detector_nM_ERR=169.749 Detector_nM_N=2.2216e+06 "Detector_nM.dat" Finally [ILL_IN6: 1]. Time: 14 [s] Isotropic_Sqw: Sample: 474851 neutron events (out of 658711) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 15327 neutron events (out of 183860) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0752503 of incoming intensity Absorption fraction =0.123033 Single scattering intensity =44188.8 (coh=20002.7 inc=24186) Multiple scattering intensity =8751.87 INFO: Placing instr file copy /users/willend/TESTS/2022-10-01/McStas_DUAL_A100_DMSC_5e7/ILL_IN6/ILL_IN6.instr in dataset 1