loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas-2.x_CPU_MPICC/mccode_config.json INFO: Using directory: "2" INFO: Using existing c-file: ./templateTAS.c INFO: Using existing binary: ./templateTAS.out INFO: === Simulation 'templateTAS' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/templateTAS/templateTAS.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz Sample: Powder V.laz templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz Sample: Powder V.laz Sample: Powder V.laz [templateTAS] Initialize templateTAS: Detailed TAS configuration * Incoming beam: EI=14.68 [meV] KI=2.662 [Angs-1] Vi=1676.05 [m/s] * Outgoing beam: EF=14.68 [meV] KF=2.662 [Angs-1] Vf=1676.05 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=20.6 A2=41.2 A3=0 A4=-21.65 A5=20.6 A6=41.2 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=1.198 [m] curved Analyzer: DA=3.354 [Angs] RAH=2.713 [m] RAV=0 [m] curved Sample: Powder V.laz [templateTAS] Initialize Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.rfl' (Table_Read_Offset) [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize Isotropic_Sqw: Sample: is a hollow cylinder: radius=0.010000 thickness=0.005000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.laz' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.laz' (Table_Read_Offset) Isotropic_sqw: Converting 21 powder lines from V.laz into S(q,w) data Isotropic_sqw: q range [0:12.4666], creating 106 elements vector Isotropic_Sqw: Sample: Generated V.laz coherent Sqw q=[0:12.349 Angs-1] w=[0:0 meV] |S|=0.827538 size=[106x1] sigma=0.0368 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=9.87 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Trace ETA 50 [s] % 21 Trace ETA 50 [s] % 21 Trace ETA 51 [s] % 21 Trace ETA 50 [s] % 21 Trace ETA 49 [s] % 22 Trace ETA 50 [s] % 21 Trace ETA 50 [s] % 21 Trace ETA 50 [s] % 21 Trace ETA 49 [s] % 22 Trace ETA 50 [s] % 21 Trace ETA 50 [s] % 21 Trace ETA 50 [s] % 21 Trace ETA 49 [s] % 22 Trace ETA 49 [s] % 22 Trace ETA 49 [s] % 22 Trace ETA 49 [s] % 22 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 40 40 40 40 40 40 40 40 40 40 40 40 40 40 40 40 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 60 60 60 60 60 60 60 60 60 60 60 60 60 60 60 60 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 70 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 Warning: 5.33033e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 46 [s] Warning: 5.33734e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 46 [s] Finally [templateTAS: 2]. Time: 46 [s] Warning: 5.32868e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 5.31927e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 46 [s] Warning: 5.33429e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 5.34813e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 46 [s] Finally [templateTAS: 2]. Time: 46 [s] Warning: 5.35102e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 46 [s] Save [templateTAS] Detector: D4_SC2_1D_I=1.29432e+09 D4_SC2_1D_ERR=177591 D4_SC2_1D_N=5.57145e+07 "D4_SC2_1D_1703041429.L" Detector: Sample_Cradle_I=3.28945e+07 Sample_Cradle_ERR=7007.05 Sample_Cradle_N=2.74067e+07 "Sample_Cradle" Finally [templateTAS: 2]. Time: 47 [s] Warning: 5.35556e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 47 [s] Warning: 5.34457e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 47 [s] Finally [templateTAS: 2]. Time: 47 [s] Warning: 5.33852e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 5.37547e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 47 [s] Warning: 5.36084e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Finally [templateTAS: 2]. Time: 47 [s] Detector: D7_SC3_1D_I=2.98211e+08 D7_SC3_1D_ERR=34646.9 D7_SC3_1D_N=4.08083e+08 "D7_SC3_1D_1703041429.th_E" Finally [templateTAS: 2]. Time: 47 [s] Finally [templateTAS: 2]. Time: 47 [s] Warning: 5.35453e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 5.36026e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 5.3427e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). Detector: He3H_I=266.773 He3H_ERR=0.405137 He3H_N=964159 "He3H.psd" Finally [templateTAS: 2]. Time: 47 [s] Isotropic_Sqw: Sample: Scattering fraction=0.347082 of incoming intensity Absorption fraction =0.573728 Single scattering intensity =2.21492e+06 (coh=6870.39 inc=2.20805e+06) Multiple scattering intensity =0 Warning: 5.36612e+06 events were removed in Component[14] SC3=Collimator_linear() (negative time, miss next components, rounding errors, Nan, Inf). INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/templateTAS/templateTAS.instr in dataset 2