INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_H512_D22.c INFO: Using existing binary: ./ILL_H512_D22.out INFO: === Simulation 'ILL_H512_D22' (/home/nexmap/pkwi/TESTS/2024-12-06/ANTLR_mpi_x_16_1e7_Linux_1e7/ILL_H512_D22/ILL_H512_D22.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq ILL_H512_D22: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize Source_gen: component HCS (square 0.1 x 0.1) focusing distance dist=2.155 area=0.123 x 0.12 spectra 4.050 to 4.950 AA (3.339 to 4.988 meV) T1=40.1 K (4.865 AA), T2=145.8 K (2.552 AA), T3=413.5 K (1.515 AA) Flux is dPhi/dlambda in [n/s/cm2]. Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al: Reading 26 rows from Al.laz PowderN: HCS_Al: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize [ILL_H512_D22] Initialize Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_4: Reading 26 rows from Al.laz PowderN: HCS_Al_4: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_4: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_5: Reading 26 rows from Al.laz PowderN: HCS_Al_5: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_5: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_6: Reading 26 rows from Al.laz PowderN: HCS_Al_6: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_6: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_7: Reading 26 rows from Al.laz PowderN: HCS_Al_7: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_7: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_15: Reading 26 rows from Al.laz PowderN: HCS_Al_15: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_15: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_17: Reading 26 rows from Al.laz PowderN: HCS_Al_17: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_17: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H51: Reading 26 rows from Al.laz PowderN: HCS_Al_H51: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H51: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_H512: Reading 26 rows from Al.laz PowderN: HCS_Al_H512: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_H512: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_45: Reading 26 rows from Al.laz PowderN: HCS_Al_45: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_45: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_50: Reading 26 rows from Al.laz PowderN: HCS_Al_50: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_50: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/Al.laz' (Table_Read_Offset) Table from file 'Al.laz' (block 1) is 26 x 18 (x=1:8), constant step. interpolation: linear '# TITLE *Aluminum-Al-[FM3-M] Miller, H.P.jr.;DuMond, J.W.M.[1942] at 298 K; ...' PowderN: HCS_Al_52: Reading 26 rows from Al.laz PowderN: HCS_Al_52: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_52: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Isotropic_Sqw: H51_D22_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/3.x-dev/data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H51_D22_Sample: Computing scattering unit density V_rho=0.0332279 [AA^-3] from density=0.994 [g/cm^3] weight=18.015 [g/mol]. Isotropic_sqw: Converting 150 S(q) from H2O_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:14.8], creating 150 elements vector Isotropic_Sqw: H51_D22_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H51_D22_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H51_D22_Sample: Generated H2O_liq.qSq coherent Sqw q=[0:14.8 Angs-1] w=[0:0 meV] |S|=1.49025 size=[152x1] sigma=7.751 [barns] Mainly elastic scattering. Isotropic_Sqw: H51_D22_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H51_D22_Sample: Focusing can only apply for single scattering. Setting to order=1. *** TRACE end *** Save [ILL_H512_D22] Detector: H5_I=6.10441e+12 H5_ERR=2.24049e+09 H5_N=7.67401e+06 "H5_1733455304.x_y" Detector: H51_origin_I=1.00401e+12 H51_origin_ERR=9.08937e+08 H51_origin_N=1.25855e+06 "H51_origin_1733455304.hd_vd" Detector: H51_Obt_Out_I=1.15387e+11 H51_Obt_Out_ERR=3.0206e+08 H51_Obt_Out_N=546007 "H51_Obt_Out_1733455304.x_y" Detector: H51_S2_Out_I=8.87276e+10 H51_S2_Out_ERR=2.77783e+08 H51_S2_Out_N=465086 "H51_S2_Out_1733455304.x_y" Detector: H51_split_2_I=4.11828e+10 H51_split_2_ERR=1.8954e+08 H51_split_2_N=212805 "H51_split_2_1733455304.x_y" Detector: H51_split_1_I=4.06775e+10 H51_split_1_ERR=1.88318e+08 H51_split_1_N=213322 "H51_split_1_1733455304.x_y" Detector: H512_VTE_I=2.93932e+10 H512_VTE_ERR=1.64117e+08 H512_VTE_N=194972 "H512_VTE_1733455304.x_y" Detector: D22_PreV_I=2.40484e+10 D22_PreV_ERR=1.58964e+08 D22_PreV_N=139261 "D22_PreV_1733455304.x_y" Detector: H51_D22_Sample_Div_I=2.19824e+09 H51_D22_Sample_Div_ERR=3.86074e+07 H51_D22_Sample_Div_N=11851 "H51_D22_Sample_Div_1733455304.hd_vd" Detector: H51_D22_Sample_XY_I=2.19824e+09 H51_D22_Sample_XY_ERR=3.86074e+07 H51_D22_Sample_XY_N=11851 "H51_D22_Sample_XY_1733455304.x_y" Detector: H51_D22_Sample_L_I=2.19824e+09 H51_D22_Sample_L_ERR=3.86074e+07 H51_D22_Sample_L_N=11851 "H51_D22_Sample_L_1733455304.L" Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Detector: D22_Detector_I=1.86847e+07 D22_Detector_ERR=576761 D22_Detector_N=4146 "D22_Detector_1733455304.x_y" Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Finally [ILL_H512_D22: 1]. Time: 1 [s] Isotropic_Sqw: H51_D22_Sample: 66 neutron events (out of 57461) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.970816 of incoming intensity Absorption fraction =0.00977897 Single scattering intensity =2.50075e+08 (coh=1.08507e+07 inc=2.39224e+08) Multiple scattering intensity =0 INFO: Placing instr file copy ILL_H512_D22.instr in dataset 1 INFO: Placing generated c-code copy ILL_H512_D22.c in dataset 1