INFO: Using directory: "2" 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 4. Will use device 4. Have found 8 GPU devices on rank 0. Will use device 0. Have found 8 GPU devices on rank 6. Will use device 6. templateTOF: lambda=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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/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) Have found 8 GPU devices on rank 5. Will use device 5. Have found 8 GPU devices on rank 1. Will use device 1. templateTOF: lambda=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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 Have found 8 GPU devices on rank 3. Will use device 3. templateTOF: lambda=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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) Have found 8 GPU devices on rank 2. Will use device 2. templateTOF: lambda=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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=1.57446 [Angs], k=3.9907 [Angs-1], v=2512.63 [m/s], E=33 [meV]. Time=[0.000373114 0.000497486 0.000746229] 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 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=5.29509e-09 M_total_ERR=8.65852e-11 M_total_N=653444 "M_total_1765512033.E_th" Detector: M_single_coh_I=6.0238e-10 M_single_coh_ERR=1.78843e-12 M_single_coh_N=487347 "M_single_coh_1765512033.E_th" Detector: M_single_inc_I=5.01178e-11 M_single_inc_ERR=5.16376e-13 M_single_inc_N=40394 "M_single_inc_1765512033.E_th" Detector: M_multi_I=1.46362e-12 M_multi_ERR=1.54591e-14 M_multi_N=117075 "M_multi_1765512033.E_th" Finally [templateTOF: 2]. Time: 16 [s] Finally [templateTOF: 2]. Time: 16 [s] Finally [templateTOF: 2]. Time: 15 [s] Detector: M_env_container_I=4.64869e-09 M_env_container_ERR=8.65672e-11 M_env_container_N=18833 "M_env_container_1765512033.E_th" Finally [templateTOF: 2]. Time: 15 [s] Finally [templateTOF: 2]. Time: 15 [s] Finally [templateTOF: 2]. Time: 15 [s] Finally [templateTOF: 2]. Time: 16 [s] Isotropic_Sqw: Sample_in: 20709 neutron events (out of 750789) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 1 neutron events (out of 730080) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.0019704 of incoming intensity Absorption fraction =0.0469069 Single scattering intensity =6.67676e-10 (coh=3.61677e-10 inc=3.05999e-10) Multiple scattering intensity =3.74816e-12 Isotropic_Sqw: Environment_out: 1 neutron events (out of 101252) 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 2 INFO: Placing generated c-code copy templateTOF.c in dataset 2