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_CPU_MPICC_KISS_1e7/templateTAS/templateTAS.instr): running on 8 nodes (master is 'panda2.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] 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.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] * 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 * 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 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: 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] Initialize [templateTAS] Initialize 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] 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] Initialize * 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] * 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 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.rfl' (Table_Read_Offset) 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 Sample: Powder V.lau [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 '/u/data/pkwi/McStas/mcstas/3.x-dev/data/V.lau' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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 1 [s] % 757 Trace ETA 6 [s] % 157 Trace ETA 2 [s] % 456 Trace ETA 1 [s] % 556 Trace ETA 1 [s] % 657 Trace ETA 4 [s] % 257 Trace ETA 19 [s] % 56 Trace ETA 3 [s] % 357 160 760 660 360 260 460 60 560 170 770 670 370 270 470 70 570 180 780 680 380 280 480 80 580 190 790 690 390 290 490 90 590 *** TRACE end *** Save [templateTAS] Detector: D4_SC2_1D_I=1.29464e+09 D4_SC2_1D_ERR=397202 D4_SC2_1D_N=1.1143e+07 "D4_SC2_1D_1703035182.L" Detector: Sample_Cradle_I=3.29484e+07 Sample_Cradle_ERR=15676 Sample_Cradle_N=5.49715e+06 "Sample_Cradle" Detector: D7_SC3_1D_I=2.95125e+08 D7_SC3_1D_ERR=75301 D7_SC3_1D_N=8.16467e+07 "D7_SC3_1D_1703035182.th_E" Finally [templateTAS: 2]. Time: 18 [s] Finally [templateTAS: 2]. Time: 18 [s] Finally [templateTAS: 2]. Time: 18 [s] Finally [templateTAS: 2]. Time: 18 [s] Finally [templateTAS: 2]. Time: 18 [s] Detector: He3H_I=278.684 He3H_ERR=0.943006 He3H_N=193900 "He3H.psd" Finally [templateTAS: 2]. Time: 18 [s] Finally [templateTAS: 2]. Time: 18 [s] Finally [templateTAS: 2]. Time: 18 [s] Isotropic_Sqw: Sample: 652 neutron events (out of 34235915) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.363628 of incoming intensity Absorption fraction =0.56702 Single scattering intensity =2.30761e+06 (coh=4450.98 inc=2.30316e+06) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/templateTAS/templateTAS.instr in dataset 2