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/2023-12-20/McStas_CPU_MPICC_KISS_1e7/ILL_IN4/ILL_IN4.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.1). 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] 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]. 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 Warning: Read_Table :Dirac2D.sqw Data has 96127 values that should be 97 x 127 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 174 Warning: Read_Table :Dirac2D.sqw Data has 343812 values that should be 344 x 812 Warning: Read_Table :Dirac2D.sqw Data has 349953 values that should be 350 x 953 Warning: Read_Table :Dirac2D.sqw Data has 356093 values that should be 357 x 93 Warning: Read_Table :Dirac2D.sqw Data has 6140 values that should be 7 x 140 Warning: Read_Table :Dirac2D.sqw Data has 362234 values that should be 363 x 234 Warning: Read_Table :Dirac2D.sqw Data has 364281 values that should be 365 x 281 Warning: Read_Table :Dirac2D.sqw Data has 49127 values that should be 50 x 939 Warning: Read_Table :Dirac2D.sqw Data has 51174 values that should be 53 x 127 Warning: Read_Table :Dirac2D.sqw Data has 10235 values that should be 12 x 174 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 221 Warning: Read_Table :Dirac2D.sqw Data has 51175 values that should be 52 x 268 Warning: Read_Table :Dirac2D.sqw Data has 6141 values that should be 7 x 268 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 315 Warning: Read_Table :Dirac2D.sqw Data has 6141 values that should be 7 x 409 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 456 Warning: Read_Table :Dirac2D.sqw Data has 51175 values that should be 52 x 456 Warning: Read_Table :Dirac2D.sqw Data has 55269 values that should be 56 x 503 Warning: Read_Table :Dirac2D.sqw Data has 6141 values that should be 7 x 597 Warning: Read_Table :Dirac2D.sqw Data has 6141 values that should be 7 x 644 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 644 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 691 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 691 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 738 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 738 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 785 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/data/Al2O3_sapphire.trm' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.rfl' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.trm' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/V.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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/data/V.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/V.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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_1703029593.x_y" Detector: Obt1_lambda_I=1.41492e+11 Obt1_lambda_ERR=4.48364e+07 Obt1_lambda_N=9.96159e+06 "Obt1_lambda_1703029593.L" Detector: Win1_I=9.98145e+10 Win1_ERR=3.33319e+07 Win1_N=8.96928e+06 "Win1_1703029593.x_y" Detector: Win1_lambda_I=5.73711e+10 Win1_lambda_ERR=2.52708e+07 Win1_lambda_N=5.15512e+06 "Win1_lambda_1703029593.L" Detector: BC2_t_I=1.7061e+10 BC2_t_ERR=9.7449e+06 BC2_t_N=3.06582e+06 "BC2_t_1703029593.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_1703029593.t" Detector: Cradle_I=1.56161e+10 Cradle_ERR=9.32341e+06 Cradle_N=2.80599e+06 "Cradle_1703029593.x_y" Detector: Cradle_lambda_I=1.56161e+10 Cradle_lambda_ERR=9.32341e+06 Cradle_lambda_N=2.80599e+06 "Cradle_lambda_1703029593.L" Detector: Cradle_t_I=1.56126e+10 Cradle_t_ERR=9.32235e+06 Cradle_t_N=2.80537e+06 "Cradle_t_1703029593.t" Detector: Mono_xy_I=1.56161e+10 Mono_xy_ERR=9.32341e+06 Mono_xy_N=2.80599e+06 "Mono_xy_1703029593.x_y" Detector: Mono_t_I=2.07193e+09 Mono_t_ERR=1.07548e+06 Mono_t_N=3.71203e+06 "Mono_t_1703029593.t" Detector: FC_Pos_I=5.19441e+08 FC_Pos_ERR=539680 FC_Pos_N=926425 "FC_Pos_1703029593.t" Detector: sample_flux_I=4.37105e+06 sample_flux_ERR=4825.89 sample_flux_N=820400 "sample_flux_1703029593.x_y" Detector: sample_tof_I=9.12583e+06 sample_tof_ERR=9860.83 sample_tof_N=856500 "sample_tof_1703029593.x_t" Detector: sample_lambda_I=9.12583e+06 sample_lambda_ERR=9860.83 sample_lambda_N=856500 "sample_lambda_1703029593.L" Detector: sample_w_I=9.12583e+06 sample_w_ERR=9860.83 sample_w_N=856500 "sample_w_1703029593.E" Detector: sample_qxy_I=9.06631e+06 sample_qxy_ERR=9828.7 sample_qxy_N=850900 "sample_qxy_1703029593.kx_ky" Detector: Detector_I=5.36418e+06 Detector_ERR=17664.6 Detector_N=672295 "Detector_1703029596.th_y" Detector: Detector_sample_I=50422.5 Detector_sample_ERR=154.827 Detector_sample_N=404300 "Detector_sample_1703029596.th_y" Detector: Detector_env_I=53959.7 Detector_env_ERR=900.097 Detector_env_N=42092 "Detector_env_1703029596.th_y" Detector: Detector_Sqw_I=28549.5 Detector_Sqw_ERR=109.113 Detector_Sqw_N=116797 "Sqw_full.dat" Detector: Detector_qe_I=66795.7 Detector_qe_ERR=181.496 Detector_qe_N=242240 "Detector_qe_1703029596.A_E" Detector: Detector_SqwV_I=8899.61 Detector_SqwV_ERR=19.1956 Detector_SqwV_N=301272 "Sqw_filtered.dat" Finally [ILL_IN4: 1]. Time: 7 [s] Detector: Detector_qeV_I=8851.04 Detector_qeV_ERR=19.1469 Detector_qeV_N=298825 "Detector_qeV_1703029596.A_E" Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Isotropic_Sqw: SampleS: 184789 neutron events (out of 456994) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: SampleS: 40 neutron events (out of 272205) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: SampleS: Scattering fraction=0.0486767 of incoming intensity Absorption fraction =0 Single scattering intensity =77037.2 (coh=77037.2 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 2 neutron events (out of 3317) 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/2023-12-20/McStas_CPU_MPICC_KISS_1e7/ILL_IN4/ILL_IN4.instr in dataset 1