INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_IN4.c INFO: Using existing binary: ./ILL_IN4.out INFO: === Simulation 'ILL_IN4' (/u/data/pkwi/WORK/mcstas-test/20240617_1024_07/mcstas-3.x-dev_run2_nexus_Linux/ILL_IN4/ILL_IN4.instr): running on 20 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: 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: 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: 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 [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [ILL_IN4] Initialize [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 53141 values that should be 54 x 141 Warning: Read_Table :Dirac2D.sqw Data has 53141 values that should be 54 x 141 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 55188 values that should be 56 x 188 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 235 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 235 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 235 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 235 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 235 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 235 Warning: Read_Table :Dirac2D.sqw Data has 167772 values that should be 168 x 772 Warning: Read_Table :Dirac2D.sqw Data has 26610 values that should be 28 x 382 Warning: Read_Table :Dirac2D.sqw Data has 4094 values that should be 5 x 476 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 523 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 570 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 617 Warning: Read_Table :Dirac2D.sqw Data has 216899 values that should be 217 x 899 Warning: Read_Table :Dirac2D.sqw Data has 57315 values that should be 59 x 214 Warning: Read_Table :Dirac2D.sqw Data has 10235 values that should be 11 x 449 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 496 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 543 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 590 Warning: Read_Table :Dirac2D.sqw Data has 315154 values that should be 316 x 154 Warning: Read_Table :Dirac2D.sqw Data has 8188 values that should be 9 x 342 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 389 Warning: Read_Table :Dirac2D.sqw Data has 327436 values that should be 328 x 436 Warning: Read_Table :Dirac2D.sqw Data has 8188 values that should be 9 x 624 Warning: Read_Table :Dirac2D.sqw Data has 337671 values that should be 338 x 671 Warning: Read_Table :Dirac2D.sqw Data has 8188 values that should be 9 x 859 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 906 Warning: Read_Table :Dirac2D.sqw Data has 452301 values that should be 453 x 301 Warning: Read_Table :Dirac2D.sqw Data has 83926 values that should be 85 x 227 Warning: Read_Table :Dirac2D.sqw Data has 12282 values that should be 13 x 509 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 556 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 603 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 650 Warning: Read_Table :Dirac2D.sqw Data has 585355 values that should be 586 x 355 Warning: Read_Table :Dirac2D.sqw Data has 114631 values that should be 115 x 986 Warning: Read_Table :Dirac2D.sqw Data has 24563 values that should be 26 x 549 Warning: Read_Table :Dirac2D.sqw Data has 4094 values that should be 5 x 643 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 690 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 737 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 784 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 831 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 878 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 925 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 972 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 4 x 19 Warning: Read_Table :Dirac2D.sqw Data has 2047 values that should be 3 x 66 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=1.11569e+11 Obt1_ERR=2.81532e+07 Obt1_N=1.57093e+07 "Obt1_1718616151.x_y" Detector: Obt1_lambda_I=1.41493e+11 Obt1_lambda_ERR=3.17042e+07 Obt1_lambda_N=1.99233e+07 "Obt1_lambda_1718616151.L" Detector: Win1_I=9.98175e+10 Win1_ERR=2.35697e+07 Win1_N=1.7939e+07 "Win1_1718616151.x_y" Detector: Win1_lambda_I=5.73692e+10 Win1_lambda_ERR=1.78689e+07 Win1_lambda_N=1.03099e+07 "Win1_lambda_1718616151.L" Detector: BC2_t_I=1.70593e+10 BC2_t_ERR=6.89034e+06 BC2_t_N=6.13099e+06 "BC2_t_1718616151.t" Detector: BC2_t_post_I=1.55092e+10 BC2_t_post_ERR=6.57007e+06 BC2_t_post_N=5.57355e+06 "BC2_t_post_1718616151.t" Detector: Cradle_I=1.5613e+10 Cradle_ERR=6.592e+06 Cradle_N=5.61085e+06 "Cradle_1718616151.x_y" Detector: Cradle_lambda_I=1.5613e+10 Cradle_lambda_ERR=6.592e+06 Cradle_lambda_N=5.61085e+06 "Cradle_lambda_1718616151.L" Detector: Cradle_t_I=1.56095e+10 Cradle_t_ERR=6.59126e+06 Cradle_t_N=5.60961e+06 "Cradle_t_1718616151.t" Detector: Mono_xy_I=1.5613e+10 Mono_xy_ERR=6.592e+06 Mono_xy_N=5.61085e+06 "Mono_xy_1718616151.x_y" Detector: Mono_t_I=2.07387e+09 Mono_t_ERR=760849 Mono_t_N=7.43077e+06 "Mono_t_1718616151.t" Detector: FC_Pos_I=5.18571e+08 FC_Pos_ERR=381295 FC_Pos_N=1.84971e+06 "FC_Pos_1718616151.t" Detector: sample_flux_I=4.39324e+06 sample_flux_ERR=3421.1 sample_flux_N=1.6491e+06 "sample_flux_1718616151.x_y" Detector: sample_tof_I=9.15282e+06 sample_tof_ERR=6983.09 sample_tof_N=1.718e+06 "sample_tof_1718616151.x_t" Detector: sample_lambda_I=9.15282e+06 sample_lambda_ERR=6983.09 sample_lambda_N=1.718e+06 "sample_lambda_1718616151.L" Detector: sample_w_I=9.15282e+06 sample_w_ERR=6983.09 sample_w_N=1.718e+06 "sample_w_1718616151.E" Detector: sample_qxy_I=9.08047e+06 sample_qxy_ERR=6955.48 sample_qxy_N=1.7044e+06 "sample_qxy_1718616151.kx_ky" Detector: Detector_I=5.3979e+06 Detector_ERR=12545.6 Detector_N=1.34106e+06 "Detector_1718616154.th_y" Detector: Detector_sample_I=37388.8 Detector_sample_ERR=68.2832 Detector_sample_N=797849 "Detector_sample_1718616154.th_y" Detector: Detector_env_I=54618.4 Detector_env_ERR=651.624 Detector_env_N=84419 "Detector_env_1718616154.th_y" Detector: Detector_Sqw_I=22971.6 Detector_Sqw_ERR=54.2376 Detector_Sqw_N=244213 "Sqw_full.dat" Detector: Detector_qe_I=51533.8 Detector_qe_ERR=85.0646 Detector_qe_N=496383 "Detector_qe_1718616154.A_E" Detector: Detector_SqwV_I=8888.5 Detector_SqwV_ERR=13.5564 Detector_SqwV_N=601725 "Sqw_filtered.dat" Detector: Detector_qeV_I=8841.5 Detector_qeV_ERR=13.5251 Detector_qeV_N=596872 "Detector_qeV_1718616154.A_E" Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [s] Finally [ILL_IN4: 1]. Time: 8 [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] 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] Finally [ILL_IN4: 1]. Time: 7 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Finally [ILL_IN4: 1]. Time: 7 [s] Isotropic_Sqw: SampleS: 298212 neutron events (out of 841378) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: SampleS: 21 neutron events (out of 543166) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: SampleS: Scattering fraction=0.0431809 of incoming intensity Absorption fraction =0 Single scattering intensity =60094.4 (coh=60094.4 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 1 neutron events (out of 6585) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. INFO: Placing instr file copy /u/data/pkwi/WORK/mcstas-test/20240617_1024_07/mcstas-3.x-dev_run2_nexus_Linux/ILL_IN4/ILL_IN4.instr in dataset 1