INFO: Using directory: "2" INFO: Using existing c-file: ./templateTAS.c INFO: Using existing binary: ./templateTAS.out INFO: === Simulation 'templateTAS' (/Users/peterwillendrup/tmp/mcstas-test/20240617_1000_29/mcstas-3.4.49_Darwin/templateTAS/templateTAS.instr): running on 10 nodes (master is 'CIN-969631', 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.lau 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.lau 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.lau 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.lau 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.lau 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.lau 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.lau [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize [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.lau [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.lau [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.lau [templateTAS] Initialize Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/HOPG.rfl' (Table_Read_Offset) 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 '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/V.lau' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/V.lau' (Table_Read_Offset) Isotropic_sqw: Sample: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 3558 powder lines from V.lau into S(q,w) data Isotropic_sqw: q range [0:25.0197], creating 423 elements vector Isotropic_Sqw: Sample: Generated V.lau coherent Sqw q=[0:24.9605 Angs-1] w=[0:0 meV] |S|=0.869429 size=[423x1] sigma=0.01834 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=5.07999 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Reusing input file 'HOPG.rfl' (Table_Read_Offset) Trace ETA (10 MPI processes) 45 [s] 24 % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** TRACE end *** Save [templateTAS] Detector: D4_SC2_1D_I=1.29424e+09 D4_SC2_1D_ERR=177592 D4_SC2_1D_N=5.57054e+07 "D4_SC2_1D_1718614801.L" Detector: Sample_Cradle_I=3.29285e+07 Sample_Cradle_ERR=7009.6 Sample_Cradle_N=2.74387e+07 "Sample_Cradle.dat" Detector: D7_SC3_1D_I=2.95116e+08 D7_SC3_1D_ERR=33681.9 D7_SC3_1D_N=4.07953e+08 "D7_SC3_1D_1718614801.th_E" Detector: He3H_I=278.691 He3H_ERR=0.421422 He3H_N=969606 "He3H.psd" Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Finally [templateTAS: 2]. Time: 43 [s] Isotropic_Sqw: Sample: 3362 neutron events (out of 170919680) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.363441 of incoming intensity Absorption fraction =0.567021 Single scattering intensity =2.30367e+06 (coh=4467.07 inc=2.2992e+06) Multiple scattering intensity =0 INFO: Placing instr file copy /Users/peterwillendrup/tmp/mcstas-test/20240617_1000_29/mcstas-3.4.49_Darwin/templateTAS/templateTAS.instr in dataset 2