INFO: Using directory: "1" INFO: Using existing c-file: ./templateTOF.c INFO: Using existing binary: ./templateTOF.out INFO: === Simulation 'templateTOF' (templateTOF.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 8 GPU devices on rank 1. Will use device 1. Have found 8 GPU devices on rank 3. Will use device 3. Have found 8 GPU devices on rank 2. Will use device 2. Have found 8 GPU devices on rank 4. Will use device 4. Have found 8 GPU devices on rank 5. Will use device 5. Have found 8 GPU devices on rank 6. Will use device 6. Have found 8 GPU devices on rank 0. Will use device 0. 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 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 end *** Save [templateTOF] Detector: M_total_I=8.00102e-10 M_total_ERR=9.80422e-12 M_total_N=523140 "M_total_1765512012.E_th" Detector: M_single_coh_I=4.46074e-11 M_single_coh_ERR=1.48975e-13 M_single_coh_N=382508 "M_single_coh_1765512012.E_th" Detector: M_single_inc_I=4.47744e-12 M_single_inc_ERR=4.85799e-14 M_single_inc_N=37998 "M_single_inc_1765512012.E_th" Detector: M_multi_I=9.4948e-14 M_multi_ERR=1.1631e-15 M_multi_N=84939 "M_multi_1765512012.E_th" Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Detector: M_env_container_I=7.51681e-10 M_env_container_ERR=9.8031e-12 M_env_container_N=30542 "M_env_container_1765512012.E_th" Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Finally [templateTOF: 1]. Time: 17 [s] Isotropic_Sqw: Sample_in: 12452914 neutron events (out of 13203266) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 4 neutron events (out of 750352) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.0021763 of incoming intensity Absorption fraction =0.119771 Single scattering intensity =6.66971e-11 (coh=3.58895e-11 inc=3.08076e-11) Multiple scattering intensity =3.47021e-13 Isotropic_Sqw: Container_out: 930 neutron events (out of 31182) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Environment_out: 2395 neutron events (out of 146799) 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