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/2022-09-01/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: 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: 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] 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] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [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 '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al2O3_sapphire.trm' (Table_Read_Offset) 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/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 ETA 41 [s] % 26 Trace ETA 45 [s] % 24 Trace ETA 45 [s] % 24 Trace ETA 44 [s] % 24 Trace ETA 37 [s] % 29 30 30 Trace ETA 36 [s] % 30 Trace ETA 37 [s] % 29 30 30 30 30 40 Trace ETA 36 [s] % 30 40 40 40 40 40 40 50 40 50 50 50 50 50 50 60 50 60 60 60 60 70 60 60 60 70 70 70 80 70 70 80 70 80 70 80 90 80 90 80 90 80 80 90 90 *** TRACE end *** 90 90 90 Save [ILL_IN4] Detector: Obt1_I=1.11582e+11 Obt1_ERR=3.9817e+07 Obt1_N=7.85556e+06 "Obt1_1661985269.x_y" Detector: Obt1_lambda_I=1.11558e+11 Obt1_lambda_ERR=3.98127e+07 Obt1_lambda_N=7.85384e+06 "Obt1_lambda_1661985269.L" Detector: Win1_I=8.74208e+10 Win1_ERR=3.11941e+07 Win1_N=7.85556e+06 "Win1_1661985269.x_y" Detector: Win1_lambda_I=5.6245e+10 Win1_lambda_ERR=2.50216e+07 Win1_lambda_N=5.05393e+06 "Win1_lambda_1661985269.L" Detector: BC2_t_I=1.69055e+10 BC2_t_ERR=9.70037e+06 BC2_t_N=3.03787e+06 "BC2_t_1661985269.t" Detector: BC2_t_post_I=1.53666e+10 BC2_t_post_ERR=9.24863e+06 BC2_t_post_N=2.76115e+06 "BC2_t_post_1661985269.t" Detector: Cradle_I=1.5468e+10 Cradle_ERR=9.27908e+06 Cradle_N=2.77937e+06 "Cradle_1661985269.x_y" Detector: Cradle_lambda_I=1.5468e+10 Cradle_lambda_ERR=9.27908e+06 Cradle_lambda_N=2.77937e+06 "Cradle_lambda_1661985269.L" Detector: Cradle_t_I=1.54651e+10 Cradle_t_ERR=9.27823e+06 Cradle_t_N=2.77887e+06 "Cradle_t_1661985269.t" Detector: Mono_xy_I=1.5468e+10 Mono_xy_ERR=9.27908e+06 Mono_xy_N=2.77937e+06 "Mono_xy_1661985269.x_y" Detector: Mono_t_I=1.39232e+09 Mono_t_ERR=882401 Mono_t_N=2.48998e+06 "Mono_t_1661985269.t" Detector: FC_Pos_I=5.1544e+08 FC_Pos_ERR=537600 FC_Pos_N=919282 "FC_Pos_1661985269.t" Detector: sample_flux_I=4.37904e+06 sample_flux_ERR=4830.3 sample_flux_N=821900 "sample_flux_1661985269.x_y" Detector: sample_tof_I=9.13023e+06 sample_tof_ERR=9863.28 sample_tof_N=856900 "sample_tof_1661985269.x_t" Detector: sample_lambda_I=9.13023e+06 sample_lambda_ERR=9863.28 sample_lambda_N=856900 "sample_lambda_1661985269.L" Detector: sample_w_I=9.13023e+06 sample_w_ERR=9863.28 sample_w_N=856900 "sample_w_1661985269.E" Detector: sample_qxy_I=9.08018e+06 sample_qxy_ERR=9836.23 sample_qxy_N=852200 "sample_qxy_1661985269.kx_ky" Detector: Detector_I=5.37371e+06 Detector_ERR=17928.4 Detector_N=660458 "Detector_1661985282.th_y" Detector: Detector_sample_I=25430.4 Detector_sample_ERR=61.1108 Detector_sample_N=393105 "Detector_sample_1661985282.th_y" Detector: Detector_env_I=54455.7 Detector_env_ERR=938.187 Detector_env_N=41694 "Detector_env_1661985282.th_y" Detector: Detector_Sqw_I=5193.75 Detector_Sqw_ERR=29.9409 Detector_Sqw_N=41411 "Sqw_full.dat" Detector: Detector_qe_I=20945.2 Detector_qe_ERR=61.3624 Detector_qe_N=158984 "Detector_qe_1661985282.A_E" Detector: Detector_SqwV_I=8860.83 Detector_SqwV_ERR=19.0606 Detector_SqwV_N=300557 "Sqw_filtered.dat" Finally [ILL_IN4: 1]. Time: 46 [s] Finally [ILL_IN4: 1]. Time: 46 [s] Finally [ILL_IN4: 1]. Time: 45 [s] Finally [ILL_IN4: 1]. Time: 44 [s] Finally [ILL_IN4: 1]. Time: 46 [s] Finally [ILL_IN4: 1]. Time: 46 [s] Finally [ILL_IN4: 1]. Time: 41 [s] Detector: Detector_qeV_I=8827.43 Detector_qeV_ERR=19.0301 Detector_qeV_N=298746 "Detector_qeV_1661985282.A_E" Finally [ILL_IN4: 1]. Time: 45 [s] Isotropic_Sqw: SampleS: 252910 neutron events (out of 526409) 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 273499) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: SampleS: Scattering fraction=0.0292726 of incoming intensity Absorption fraction =0 Single scattering intensity =39039.4 (coh=39039.4 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 4 neutron events (out of 3222) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-09-01/McStas_CPU_MPICC_KISS_1e7/ILL_IN4/ILL_IN4.instr in dataset 1