INFO: Using directory: "1" INFO: Using existing c-file: ./templateTAS.c INFO: Using existing binary: ./templateTAS.out INFO: === Simulation 'templateTAS' (/home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/templateTAS/templateTAS.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.0). 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] 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 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 * 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 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: 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 * 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] Initialize [templateTAS] Initialize [templateTAS] Initialize [templateTAS] Initialize Sample: Powder V.lau [templateTAS] Initialize [templateTAS] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../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 '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../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 3.26667 [min] % 5 Trace ETA 3.31667 [min] % 5 Trace ETA 3.88333 [min] % 4 Trace ETA 3.31667 [min] % 5 Trace ETA 4.4 [min] % 4 Trace ETA 3.81667 [min] % 4 Trace ETA 3.26667 [min] % 5 Trace ETA 3.75 [min] % 4 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 30 30 30 30 30 30 30 40 40 40 40 30 40 40 40 50 50 50 50 40 50 50 50 60 60 60 60 50 70 70 60 60 60 70 70 80 80 80 80 70 60 70 70 90 90 90 90 80 80 80 70 90 90 90 80 90 *** TRACE end *** Save [templateTAS] Detector: D4_SC2_1D_I=1.29482e+09 D4_SC2_1D_ERR=397232 D4_SC2_1D_N=1.11443e+07 "D4_SC2_1D_1648773304.L" Detector: Sample_Cradle_I=3.2907e+07 Sample_Cradle_ERR=15663.9 Sample_Cradle_N=5.4887e+06 "Sample_Cradle" Detector: D7_SC3_1D_I=2.93194e+08 D7_SC3_1D_ERR=74557.4 D7_SC3_1D_N=8.16461e+07 "D7_SC3_1D_1648773304.th_E" Finally [templateTAS: 1]. Time: 4.33333 [min] Finally [templateTAS: 1]. Time: 4.33333 [min] Finally [templateTAS: 1]. Time: 4.33333 [min] Finally [templateTAS: 1]. Time: 4.33333 [min] Finally [templateTAS: 1]. Time: 4.33333 [min] Detector: He3H_I=275.475 He3H_ERR=0.92417 He3H_N=194226 "He3H.psd" Finally [templateTAS: 1]. Time: 4.33333 [min] Finally [templateTAS: 1]. Time: 4.33333 [min] Finally [templateTAS: 1]. Time: 4.33333 [min] Isotropic_Sqw: Sample: 561 neutron events (out of 34279793) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.363696 of incoming intensity Absorption fraction =0.56702 Single scattering intensity =2.31163e+06 (coh=4465.57 inc=2.30716e+06) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/templateTAS/templateTAS.instr in dataset 1 loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_CPU_MPICC_KISS/mccode_config.json