INFO: Using directory: "1" INFO: Using existing c-file: ./templateTOF.c INFO: Using existing binary: ./templateTOF.out INFO: === Simulation 'templateTOF' (/home/nexmap/pkwi/TESTS/2024-06-17/mcstas-3.x-dev_panda2_Linux/templateTOF/templateTOF.instr): running on 16 nodes (master is 'panda2.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: 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: 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] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize [templateTOF] Initialize 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) 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) 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) 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 ETA (16 MPI processes) 17 [s] 63 % 65 % 70 % 75 % 80 % 85 % 90 % 95 % *** TRACE end *** Save [templateTOF] Detector: M_total_I=7.88763e-10 M_total_ERR=4.31511e-12 M_total_N=2.61912e+06 "M_total_1718581713.E_th" Detector: M_single_coh_I=4.49097e-11 M_single_coh_ERR=6.77214e-14 M_single_coh_N=1.91684e+06 "M_single_coh_1718581713.E_th" Detector: M_single_inc_I=4.40388e-12 M_single_inc_ERR=2.11443e-14 M_single_inc_N=188525 "M_single_inc_1718581713.E_th" Detector: M_multi_I=9.66907e-14 M_multi_ERR=5.58746e-16 M_multi_N=425460 "M_multi_1718581713.E_th" Finally [templateTOF: 1]. Time: 18 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 18 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 18 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 18 [s] Finally [templateTOF: 1]. Time: 19 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Detector: M_env_container_I=7.40107e-10 M_env_container_ERR=4.31454e-12 M_env_container_N=153165 "M_env_container_1718581713.E_th" Finally [templateTOF: 1]. Time: 17 [s] Isotropic_Sqw: Sample_in: 158263398 neutron events (out of 211012645) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 16 neutron events (out of 52749247) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.00235135 of incoming intensity Absorption fraction =0.121199 Single scattering intensity =8.54369e-10 (coh=7.8603e-10 inc=6.83393e-11) Multiple scattering intensity =1.79189e-12 Isotropic_Sqw: Container_out: 4954 neutron events (out of 165317) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Environment_out: 11723 neutron events (out of 937863) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2024-06-17/mcstas-3.x-dev_panda2_Linux/templateTOF/templateTOF.instr in dataset 1