loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_CPU_MPICC_KISS/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_IN4.c INFO: Using existing binary: ./ILL_IN4.out INFO: === Simulation 'ILL_IN4' (/home/nexmap/pkwi/TESTS/2023-03-01/McStas_CPU_MPICC_KISS_1e7/ILL_IN4/ILL_IN4.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.0). ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. 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] ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. 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: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. ILL_IN4: WARNING: The choppers are NOT in closed position phase12=-22.5 [deg]. [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize Warning: Read_Table :Dirac2D.sqw Data has 898542 values that should be 900 x 542 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 '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al2O3_sapphire.trm' (Table_Read_Offset) Warning: Read_Table :Dirac2D.sqw Data has 101458 values that should be 102 x 1000 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.rfl' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.trm' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/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 '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) *** TRACE end *** Save [ILL_IN4] Detector: Obt1_I=1.11582e+11 Obt1_ERR=3.9817e+07 Obt1_N=7.85556e+06 "Obt1_1677627389.x_y" Detector: Obt1_lambda_I=1.41492e+11 Obt1_lambda_ERR=4.48364e+07 Obt1_lambda_N=9.96159e+06 "Obt1_lambda_1677627389.L" Detector: Win1_I=9.98145e+10 Win1_ERR=3.33319e+07 Win1_N=8.96928e+06 "Win1_1677627389.x_y" Detector: Win1_lambda_I=5.73711e+10 Win1_lambda_ERR=2.52708e+07 Win1_lambda_N=5.15512e+06 "Win1_lambda_1677627389.L" Detector: BC2_t_I=1.7061e+10 BC2_t_ERR=9.7449e+06 BC2_t_N=3.06582e+06 "BC2_t_1677627389.t" Detector: BC2_t_post_I=1.55123e+10 BC2_t_post_ERR=9.29237e+06 BC2_t_post_N=2.78733e+06 "BC2_t_post_1677627389.t" Detector: Cradle_I=1.56161e+10 Cradle_ERR=9.32341e+06 Cradle_N=2.80599e+06 "Cradle_1677627389.x_y" Detector: Cradle_lambda_I=1.56161e+10 Cradle_lambda_ERR=9.32341e+06 Cradle_lambda_N=2.80599e+06 "Cradle_lambda_1677627389.L" Detector: Cradle_t_I=1.56126e+10 Cradle_t_ERR=9.32235e+06 Cradle_t_N=2.80537e+06 "Cradle_t_1677627389.t" Detector: Mono_xy_I=1.56161e+10 Mono_xy_ERR=9.32341e+06 Mono_xy_N=2.80599e+06 "Mono_xy_1677627389.x_y" Detector: Mono_t_I=2.07197e+09 Mono_t_ERR=1.07549e+06 Mono_t_N=3.71211e+06 "Mono_t_1677627389.t" Detector: FC_Pos_I=5.19474e+08 FC_Pos_ERR=539697 FC_Pos_N=926483 "FC_Pos_1677627389.t" Detector: sample_flux_I=4.36354e+06 sample_flux_ERR=4821.72 sample_flux_N=819000 "sample_flux_1677627389.x_y" Detector: sample_tof_I=9.10972e+06 sample_tof_ERR=9852.06 sample_tof_N=855000 "sample_tof_1677627389.x_t" Detector: sample_lambda_I=9.10972e+06 sample_lambda_ERR=9852.06 sample_lambda_N=855000 "sample_lambda_1677627389.L" Detector: sample_w_I=9.10972e+06 sample_w_ERR=9852.06 sample_w_N=855000 "sample_w_1677627389.E" Detector: sample_qxy_I=9.05659e+06 sample_qxy_ERR=9823.36 sample_qxy_N=850000 "sample_qxy_1677627389.kx_ky" Detector: Detector_I=5.38224e+06 Detector_ERR=17953.3 Detector_N=660317 "Detector_1677627392.th_y" Detector: Detector_sample_I=26841.6 Detector_sample_ERR=66.0028 Detector_sample_N=393325 "Detector_sample_1677627392.th_y" Detector: Detector_env_I=54580.3 Detector_env_ERR=938.481 Detector_env_N=41170 "Detector_env_1677627392.th_y" Detector: Detector_Sqw_I=7563.34 Detector_Sqw_ERR=39.2221 Detector_Sqw_N=52447 "Sqw_full.dat" Detector: Detector_qe_I=24807.5 Detector_qe_ERR=71.3628 Detector_qe_N=169918 "Detector_qe_1677627392.A_E" Detector: Detector_SqwV_I=8905.37 Detector_SqwV_ERR=19.2058 Detector_SqwV_N=301224 "Sqw_filtered.dat" Finally [ILL_IN4: 1]. Time: 10 [s] Finally [ILL_IN4: 1]. Time: 10 [s] Finally [ILL_IN4: 1]. Time: 10 [s] Finally [ILL_IN4: 1]. Time: 10 [s] Finally [ILL_IN4: 1]. Time: 10 [s] Detector: Detector_qeV_I=8859.05 Detector_qeV_ERR=19.1574 Detector_qeV_N=298855 "Detector_qeV_1677627392.A_E" Finally [ILL_IN4: 1]. Time: 10 [s] Finally [ILL_IN4: 1]. Time: 10 [s] Finally [ILL_IN4: 1]. Time: 10 [s] Isotropic_Sqw: SampleS: 237402 neutron events (out of 509156) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: SampleS: 2 neutron events (out of 271754) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: SampleS: Scattering fraction=0.0310286 of incoming intensity Absorption fraction =0 Single scattering intensity =41542.7 (coh=41542.7 inc=0) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-03-01/McStas_CPU_MPICC_KISS_1e7/ILL_IN4/ILL_IN4.instr in dataset 1