loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas-2.x_CPU_MPICC/mccode_config.json 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/2023-12-20/McStas-2.x_CPU_MPICC_5e7/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 [ILL_H512_D22] Initialize 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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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 [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 Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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. Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Save [ILL_H512_D22] Detector: H5_I=6.10505e+12 H5_ERR=1.002e+09 H5_N=3.83764e+07 "H5_1703031130.x_y" Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Detector: H51_origin_I=1.00298e+12 H51_origin_ERR=4.06301e+08 H51_origin_N=6.28572e+06 "H51_origin_1703031130.hd_vd" Detector: H51_Obt_Out_I=1.15166e+11 H51_Obt_Out_ERR=1.34931e+08 H51_Obt_Out_N=2.72521e+06 "H51_Obt_Out_1703031130.x_y" Finally [ILL_H512_D22: 1]. Time: 8 [s] Detector: H51_S2_Out_I=8.86137e+10 H51_S2_Out_ERR=1.24117e+08 H51_S2_Out_N=2.31944e+06 "H51_S2_Out_1703031130.x_y" Detector: H51_split_2_I=4.08887e+10 H51_split_2_ERR=8.44017e+07 H51_split_2_N=1.06231e+06 "H51_split_2_1703031130.x_y" Detector: H51_split_1_I=4.09373e+10 H51_split_1_ERR=8.44727e+07 H51_split_1_N=1.0628e+06 "H51_split_1_1703031130.x_y" Detector: H512_VTE_I=2.91329e+10 H512_VTE_ERR=7.30209e+07 H512_VTE_N=973328 "H512_VTE_1703031130.x_y" Detector: D22_PreV_I=2.39656e+10 D22_PreV_ERR=7.0914e+07 D22_PreV_N=695923 "D22_PreV_1703031130.x_y" Detector: H51_D22_Sample_Div_I=2.11672e+09 H51_D22_Sample_Div_ERR=1.69632e+07 H51_D22_Sample_Div_N=57884 "H51_D22_Sample_Div_1703031130.hd_vd" Detector: H51_D22_Sample_XY_I=2.11672e+09 H51_D22_Sample_XY_ERR=1.69632e+07 H51_D22_Sample_XY_N=57884 "H51_D22_Sample_XY_1703031130.x_y" Detector: H51_D22_Sample_L_I=2.11672e+09 H51_D22_Sample_L_ERR=1.69632e+07 H51_D22_Sample_L_N=57884 "H51_D22_Sample_L_1703031130.L" Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Finally [ILL_H512_D22: 1]. Time: 8 [s] Detector: D22_Detector_I=1.89495e+07 D22_Detector_ERR=261072 D22_Detector_N=21242 "D22_Detector_1703031130.x_y" Finally [ILL_H512_D22: 1]. Time: 8 [s] Isotropic_Sqw: H51_D22_Sample: 436 neutron events (out of 282557) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.970852 of incoming intensity Absorption fraction =0.00978266 Single scattering intensity =2.40799e+08 (coh=1.07425e+07 inc=2.30057e+08) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/ILL_H512_D22/ILL_H512_D22.instr in dataset 1