INFO: Using directory: "1" INFO: Using existing c-file: ./templateTOF.c INFO: Using existing binary: ./templateTOF.out INFO: === Simulation 'templateTOF' (templateTOF.instr): running on 20 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) [templateTOF] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz [templateTOF] Initialize templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Nb.laz' (Table_Read_Offset) [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Nb.laz' (Table_Read_Offset) Isotropic_Sqw: Sample_in: is a hollow cylinder: radius=0.005000 thickness=0.000100 height=0.016800 [J Comp Phys 228 (2009) 5251] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (Table_Read_Offset) templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz [templateTOF] Initialize templateTOF: lambda=4.06934 [Angs], k=1.54403 [Angs-1], v=972.155 [m/s], E=4.94 [meV]. Time=[0.000964352 0.0012858 0.0019287] templateTOF: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. templateTOF: container is Nb.laz (outer cylinder) templateTOF: external environment is Al.laz [templateTOF] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample_in: Temperature set to T=350 [K] Isotropic_Sqw: Sample_in: S(q,w) data from Rb_liq_inc.sqw (inc) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample_in: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_inc.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample_in: Generated Rb_liq_inc.sqw incoherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.985192 size=[101x10185] sigma=0.5 [barns] normalization factor S(q,w)*0.492586 (auto) \int q^2 S(q) dq=676.701 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample_in: Temperature set to T=350 [K] Isotropic_Sqw: Sample_in: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample_in: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample_in: Generated Rb_liq_coh.sqw coherent Sqw q=[0.1:10 Angs-1] w=[0:101.849 meV] |S|=0.887933 size=[101x10185] sigma=6.32 [barns] normalization factor S(q,w)*0.477012 (auto) \int q^2 S(q) dq=698.369 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Nb.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Nb.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 [templateTOF] Detector: M_total_I=7.68478e-10 M_total_ERR=9.44213e-12 M_total_N=523524 "M_total_1765518732.E_th" Detector: M_single_coh_I=4.47931e-11 M_single_coh_ERR=1.50581e-13 M_single_coh_N=383052 "M_single_coh_1765518732.E_th" Detector: M_single_inc_I=4.28312e-12 M_single_inc_ERR=4.35096e-14 M_single_inc_N=37862 "M_single_inc_1765518732.E_th" Detector: M_multi_I=9.97157e-14 M_multi_ERR=1.6084e-15 M_multi_N=85080 "M_multi_1765518732.E_th" Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 9 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 11 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 10 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 11 [s] Detector: M_env_container_I=7.20028e-10 M_env_container_ERR=9.44096e-12 M_env_container_N=30316 "M_env_container_1765518732.E_th" Finally [templateTOF: 1]. Time: 11 [s] Finally [templateTOF: 1]. Time: 10 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 10 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 11 [s] Finally [templateTOF: 1]. Time: 11 [s] Finally [templateTOF: 1]. Time: 11 [s] Finally [templateTOF: 1]. Time: 7 [s] Finally [templateTOF: 1]. Time: 10 [s] Isotropic_Sqw: Sample_in: 31648753 neutron events (out of 42198402) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 2 neutron events (out of 10549649) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.00235168 of incoming intensity Absorption fraction =0.121198 Single scattering intensity =8.54511e-10 (coh=7.86282e-10 inc=6.82298e-11) Multiple scattering intensity =1.79302e-12 Isotropic_Sqw: Container_out: 973 neutron events (out of 32999) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Environment_out: 2378 neutron events (out of 187755) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. INFO: Placing instr file copy templateTOF.instr in dataset 1 INFO: Placing generated c-code copy templateTOF.c in dataset 1