INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_H5.c INFO: Using existing binary: ./ILL_H5.out INFO: === ILL_H5: IN14: A1=38.7506 [deg] RMV=2.02467 [m] lambda=4.2 [Angs] sample=Rb_liq_coh.sqw ILL_H5: IN16: A1=69.8672 [deg] RMV=2.01006 [m] lambda=6.3 [Angs] sample=Rb_liq_coh.sqw ILL_H5: D16: A1=56.5716 [deg] RMV=3.02043 [m] lambda=5.6 [Angs] sample=H2O_liq.qSq ILL_H5: SuperADAM: A1=40.9756 [deg] RMV=2.90659 [m] lambda=4.4 [Angs] sample=SiO2_quartza.laz ILL_H5: IN15: nu=26129.9 [rmp] lambda=6.5 [Angs] sample=Vanadium (polarized) ILL_H5: D22: nu=28307.4 [rpm] lambda=4.5 [Angs] sample=H2O_liq.qSq [ILL_H5] Initialize Source_gen: component HCS (square 0.1 x 0.1) focusing distance dist=2.155 area=0.123 x 0.12 spectra 0.500 to 9.500 AA (0.906 to 327.240 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 '/zhome/89/0/38697/McStas/mcstas/3.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: 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 '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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: H53_Al: Reading 26 rows from Al.laz PowderN: H53_Al: Read 26 reflections from file 'Al.laz' PowderN: H53_Al: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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_19: Reading 26 rows from Al.laz PowderN: HCS_Al_19: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_19: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_21: Reading 26 rows from Al.laz PowderN: HCS_Al_21: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_21: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_23: Reading 26 rows from Al.laz PowderN: HCS_Al_23: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_23: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.rfl' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.trm' (Table_Read_Offset) Isotropic_Sqw: H53_IN14_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Isotropic_Sqw: H53_IN14_Sample: Temperature set to T=350 [K] Isotropic_Sqw: H53_IN14_Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: H53_IN14_Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H53_IN14_Sample: 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 Isotropic_Sqw: H53_IN14_Sample: Using Isotropic elastic incoherent scattering (sigma=0.5 [barns]) Isotropic_Sqw: H53_IN14_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_42: Reading 26 rows from Al.laz PowderN: HCS_Al_42: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_42: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_54: Reading 26 rows from Al.laz PowderN: HCS_Al_54: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_54: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_56: Reading 26 rows from Al.laz PowderN: HCS_Al_56: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_56: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_76: Reading 26 rows from Al.laz PowderN: HCS_Al_76: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_76: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H53_IN16_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: H53_IN16_Sample: Temperature set to T=350 [K] Isotropic_Sqw: H53_IN16_Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: H53_IN16_Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H53_IN16_Sample: 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 Isotropic_Sqw: H53_IN16_Sample: Using Isotropic elastic incoherent scattering (sigma=0.5 [barns]) Isotropic_Sqw: H53_IN16_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_88: Reading 26 rows from Al.laz PowderN: HCS_Al_88: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_88: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_91: Reading 26 rows from Al.laz PowderN: HCS_Al_91: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_91: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H53_D16_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/H2O_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: H53_D16_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: H53_D16_Sample: Temperature set to T=293 [K] Isotropic_Sqw: H53_D16_Sample: Applying exp(hw/2kT) factor with T=293 [K] on H2O_liq.qSq file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: H53_D16_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: H53_D16_Sample: Using Isotropic elastic incoherent scattering (sigma=160.521 [barns]) Isotropic_Sqw: H53_D16_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_104: Reading 26 rows from Al.laz PowderN: HCS_Al_104: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_104: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_107: Reading 26 rows from Al.laz PowderN: HCS_Al_107: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_107: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Reusing input file 'HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: H53_SADAM_Sample: is a cylinder: radius=0.005000 thickness=0.000000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/SiO2_quartza.laz' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/SiO2_quartza.laz' (Table_Read_Offset) Isotropic_sqw: Converting 625 powder lines from SiO2_quartza.laz into S(q,w) data Isotropic_sqw: q range [0:12.4939], creating 25254 elements vector Isotropic_Sqw: H53_SADAM_Sample: Generated SiO2_quartza.laz coherent Sqw q=[0:12.4934 Angs-1] w=[0:0 meV] |S|=0.00187179 size=[25254x1] sigma=31.875 [barns] Mainly elastic scattering. Isotropic_Sqw: H53_SADAM_Sample: Using Isotropic elastic incoherent scattering (sigma=0.0168 [barns]) Isotropic_Sqw: H53_SADAM_Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: H53_SADAM_Sample: Focusing can only apply for single scattering. Setting to order=1. Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_120: Reading 26 rows from Al.laz PowderN: HCS_Al_120: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_120: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_123: Reading 26 rows from Al.laz PowderN: HCS_Al_123: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_123: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_139: Reading 26 rows from Al.laz PowderN: HCS_Al_139: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_139: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_146: Reading 26 rows from Al.laz PowderN: HCS_Al_146: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_146: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_148: Reading 26 rows from Al.laz PowderN: HCS_Al_148: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_148: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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_165: Reading 26 rows from Al.laz PowderN: HCS_Al_165: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_165: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_167: Reading 26 rows from Al.laz PowderN: HCS_Al_167: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_167: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Incoherent: H511_IN15_Sample: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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 '/zhome/89/0/38697/McStas/mcstas/3.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_199: Reading 26 rows from Al.laz PowderN: HCS_Al_199: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_199: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_204: Reading 26 rows from Al.laz PowderN: HCS_Al_204: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_204: Vc=66.4 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.0328 [barn] reflections=Al.laz Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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_206: Reading 26 rows from Al.laz PowderN: HCS_Al_206: Read 26 reflections from file 'Al.laz' PowderN: HCS_Al_206: 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 '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/H2O_liq.qSq' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.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. *** TRACE end *** Save [ILL_H5] Detector: H5_I=7.46666e+13 H5_ERR=1.73049e+10 H5_N=3.86668e+07 "H5_1648771944.x_y" Detector: H53_origin_I=1.83925e+13 H53_origin_ERR=8.59324e+09 H53_origin_N=9.42448e+06 "H53_origin_1648771944.hd_vd" Detector: H52_origin_I=4.60176e+12 H52_origin_ERR=4.29942e+09 H52_origin_N=2.35695e+06 "H52_origin_1648771944.hd_vd" Detector: H51_origin_I=1.22666e+13 H51_origin_ERR=7.01746e+09 H51_origin_N=6.28746e+06 "H51_origin_1648771944.hd_vd" Detector: H53_Obt_Out_I=1.5904e+12 H53_Obt_Out_ERR=2.41171e+09 H53_Obt_Out_N=5.10393e+06 "H53_Obt_Out_1648771944.x_y" Detector: H53_IN14_Monochromator_Cradle_I=7.75464e+11 H53_IN14_Monochromator_Cradle_ERR=1.51136e+09 H53_IN14_Monochromator_Cradle_N=4.09777e+06 "H53_IN14_Monochromator_Cradle_1648771944.x_y" Detector: H53_IN14_Sample_Div_I=4.78389e+09 H53_IN14_Sample_Div_ERR=1.373e+08 H53_IN14_Sample_Div_N=4329 "H53_IN14_Sample_Div_1648771944.hd_vd" Detector: H53_IN14_Sample_XY_I=8.05295e+09 H53_IN14_Sample_XY_ERR=1.73753e+08 H53_IN14_Sample_XY_N=11037 "H53_IN14_Sample_XY_1648771944.x_y" Detector: H53_IN14_Sample_L_I=7.8213e+09 H53_IN14_Sample_L_ERR=1.7191e+08 H53_IN14_Sample_L_N=10830 "H53_IN14_Sample_L_1648771944.L" Detector: H53_IN14_Spectrometer_I=4.01972e+06 H53_IN14_Spectrometer_ERR=1.24958e+06 H53_IN14_Spectrometer_N=35 "H53_IN14_Spectrometer_1648771947.A_E" Detector: H53_IN14_Diffractometer_I=2.1103e+06 H53_IN14_Diffractometer_ERR=900456 H53_IN14_Diffractometer_N=24 "H53_IN14_Diffractometer_1648771947.th_y" Detector: He3H_I=0 He3H_ERR=0 He3H_N=0 "He3H" Detector: H53_VTE_I=5.1782e+11 H53_VTE_ERR=1.07994e+09 H53_VTE_N=3.13637e+06 "H53_VTE_1648771947.x_y" Detector: H53_IN16_Monochromator_Cradle_I=4.18651e+11 H53_IN16_Monochromator_Cradle_ERR=9.65642e+08 H53_IN16_Monochromator_Cradle_N=2.48069e+06 "H53_IN16_Monochromator_Cradle_1648771947.x_y" Detector: H53_IN16_Sample_Div_I=8.68209e+08 H53_IN16_Sample_Div_ERR=4.62985e+07 H53_IN16_Sample_Div_N=2858 "H53_IN16_Sample_Div_1648771947.hd_vd" Detector: H53_IN16_Sample_XY_I=2.16037e+09 H53_IN16_Sample_XY_ERR=7.24317e+07 H53_IN16_Sample_XY_N=9180 "H53_IN16_Sample_XY_1648771947.x_y" Detector: H53_IN16_Sample_L_I=2.16037e+09 H53_IN16_Sample_L_ERR=7.24317e+07 H53_IN16_Sample_L_N=9161 "H53_IN16_Sample_L_1648771947.L" Detector: H53_IN16_Spectrometer_I=3.13486e+06 H53_IN16_Spectrometer_ERR=1.12045e+06 H53_IN16_Spectrometer_N=49 "H53_IN16_Spectrometer_1648771949.A_E" Detector: H53_IN16_Diffractometer_I=1.53111e+06 H53_IN16_Diffractometer_ERR=827653 H53_IN16_Diffractometer_N=22 "H53_IN16_Diffractometer_1648771949.th_y" Detector: H53_D16_Monochromator_Cradle_I=3.81097e+11 H53_D16_Monochromator_Cradle_ERR=9.7206e+08 H53_D16_Monochromator_Cradle_N=1.8835e+06 "H53_D16_Monochromator_Cradle_1648771949.x_y" Detector: H53_D16_Sample_Div_I=8.72287e+08 H53_D16_Sample_Div_ERR=4.82657e+07 H53_D16_Sample_Div_N=1450 "H53_D16_Sample_Div_1648771949.hd_vd" Detector: H53_D16_Sample_XY_I=2.35899e+09 H53_D16_Sample_XY_ERR=8.04703e+07 H53_D16_Sample_XY_N=4609 "H53_D16_Sample_XY_1648771949.x_y" Detector: H53_D16_Sample_L_I=2.3588e+09 H53_D16_Sample_L_ERR=8.04702e+07 H53_D16_Sample_L_N=4577 "H53_D16_Sample_L_1648771949.L" Detector: H53_D16_Detector_I=0.000107306 H53_D16_Detector_ERR=0.000117547 H53_D16_Detector_N=5 "H53_D16_Detector_1648771949.x_y" Detector: H53_D16_Spectrometer_I=3.21927e+07 H53_D16_Spectrometer_ERR=4.26929e+06 H53_D16_Spectrometer_N=222 "H53_D16_Spectrometer_1648771949.A_E" Detector: H53_D16_Diffractometer_I=1.80688e+07 H53_D16_Diffractometer_ERR=3.23456e+06 H53_D16_Diffractometer_N=138 "H53_D16_Diffractometer_1648771949.th_y" Detector: H53_SADAM_Monochromator_Cradle_I=3.4824e+11 H53_SADAM_Monochromator_Cradle_ERR=9.79933e+08 H53_SADAM_Monochromator_Cradle_N=1.44803e+06 "H53_SADAM_Monochromator_Cradle_1648771949.x_y" Detector: H53_SADAM_Sample_Div_I=7.39791e+08 H53_SADAM_Sample_Div_ERR=4.69341e+07 H53_SADAM_Sample_Div_N=765 "H53_SADAM_Sample_Div_1648771949.hd_vd" Detector: H53_SADAM_Sample_XY_I=1.94528e+09 H53_SADAM_Sample_XY_ERR=7.54388e+07 H53_SADAM_Sample_XY_N=2609 "H53_SADAM_Sample_XY_1648771949.x_y" Detector: H53_SADAM_Sample_L_I=1.94499e+09 H53_SADAM_Sample_L_ERR=7.54383e+07 H53_SADAM_Sample_L_N=2588 "H53_SADAM_Sample_L_1648771949.L" Detector: H53_SADAM_Detector_I=0 H53_SADAM_Detector_ERR=0 H53_SADAM_Detector_N=0 "H53_SADAM_Detector_1648771952.x_y" Detector: H53_SADAM_Spectrometer_I=223630 H53_SADAM_Spectrometer_ERR=234525 H53_SADAM_Spectrometer_N=10 "H53_SADAM_Spectrometer_1648771952.A_E" Detector: H53_SADAM_Diffractometer_I=18.5044 H53_SADAM_Diffractometer_ERR=20.2706 H53_SADAM_Diffractometer_N=5 "H53_SADAM_Diffractometer_1648771952.th_y" Detector: H53_CryoEDM_In_L_I=3.13834e+11 H53_CryoEDM_In_L_ERR=9.84164e+08 H53_CryoEDM_In_L_N=1.02655e+06 "H53_CryoEDM_In_L_1648771952.L" Detector: H53_CryoEDM_mirror_ReflectXY_I=7.82032e+09 H53_CryoEDM_mirror_ReflectXY_ERR=4.90588e+07 H53_CryoEDM_mirror_ReflectXY_N=105787 "H53_CryoEDM_mirror_ReflectXY" Detector: H53_CryoEDM_mirror_TransmitXY_I=6.67355e+10 H53_CryoEDM_mirror_TransmitXY_ERR=2.12654e+09 H53_CryoEDM_mirror_TransmitXY_N=5485 "H53_CryoEDM_mirror_TransmitXY" Detector: H53_CryoEDM_Sample_L_I=1.24514e+10 H53_CryoEDM_Sample_L_ERR=6.0873e+07 H53_CryoEDM_Sample_L_N=256938 "H53_CryoEDM_Sample_L_1648771952.L" Detector: H53_CryoEDM_Sample_Div_I=1.23882e+10 H53_CryoEDM_Sample_Div_ERR=6.07817e+07 H53_CryoEDM_Sample_Div_N=200362 "H53_CryoEDM_Sample_Div_1648771952.hd_vd" Detector: H53_CryoEDM_Sample_XY_I=1.24514e+10 H53_CryoEDM_Sample_XY_ERR=6.0873e+07 H53_CryoEDM_Sample_XY_N=257229 "H53_CryoEDM_Sample_XY_1648771952.x_y" Detector: H52_Obt_Out_I=1.51947e+11 H52_Obt_Out_ERR=6.71695e+08 H52_Obt_Out_N=652481 "H52_Obt_Out_1648771952.x_y" Detector: H51_Obt_Out_I=4.72966e+11 H51_Obt_Out_ERR=1.208e+09 H51_Obt_Out_N=1.89341e+06 "H51_Obt_Out_1648771952.x_y" Detector: H51_S2_Out_I=3.43763e+11 H51_S2_Out_ERR=1.03483e+09 H51_S2_Out_N=1.57444e+06 "H51_S2_Out_1648771952.x_y" Detector: H51_split_2_I=1.59073e+11 H51_split_2_ERR=7.05954e+08 H51_split_2_N=721933 "H51_split_2_1648771952.x_y" Detector: H51_split_1_I=1.57822e+11 H51_split_1_ERR=7.00437e+08 H51_split_1_N=721396 "H51_split_1_1648771952.x_y" Detector: H511_mirror_ReflectXY_I=1.51173e+10 H511_mirror_ReflectXY_ERR=6.97765e+07 H511_mirror_ReflectXY_N=208251 "H511_mirror_ReflectXY" Detector: H511_mirror_TransmitXY_I=9.35263e+10 H511_mirror_TransmitXY_ERR=2.57769e+09 H511_mirror_TransmitXY_N=10875 "H511_mirror_TransmitXY" Detector: H511_mirror_outdXY_I=1.51173e+10 H511_mirror_outdXY_ERR=6.97765e+07 H511_mirror_outdXY_N=207266 "H511_mirror_outdXY_1648771952.hd_vd" Detector: H511_VTE_I=1.19076e+10 H511_VTE_ERR=6.47038e+07 H511_VTE_N=213210 "H511_VTE_1648771952.x_y" Detector: H511_IN15_Sample_Div_I=4.85262e+08 H511_IN15_Sample_Div_ERR=9.88831e+06 H511_IN15_Sample_Div_N=7224 "H511_IN15_Sample_Div_1648771952.hd_vd" Detector: H511_IN15_Sample_XY_I=4.85262e+08 H511_IN15_Sample_XY_ERR=9.88831e+06 H511_IN15_Sample_XY_N=7224 "H511_IN15_Sample_XY_1648771952.x_y" Detector: H511_IN15_Sample_L_I=4.85262e+08 H511_IN15_Sample_L_ERR=9.88831e+06 H511_IN15_Sample_L_N=7224 "H511_IN15_Sample_L_1648771952.L" Detector: H511_IN15_Detector_I=10116.5 H511_IN15_Detector_ERR=5515.76 H511_IN15_Detector_N=8 "H511_IN15_Detector_1648771952.x_y" Detector: H511_IN15_Spectrometer_I=2.32543e+06 H511_IN15_Spectrometer_ERR=82572.4 H511_IN15_Spectrometer_N=3678 "H511_IN15_Spectrometer_1648771952.A_E" Detector: H511_IN15_Diffractometer_I=1.32226e+06 H511_IN15_Diffractometer_ERR=61611.9 H511_IN15_Diffractometer_N=2103 "H511_IN15_Diffractometer_1648771952.th_y" Detector: H512_VTE_I=8.77495e+10 H512_VTE_ERR=4.49991e+08 H512_VTE_N=668820 "H512_VTE_1648771952.x_y" Detector: D22_PreV_I=7.12806e+10 D22_PreV_ERR=4.29641e+08 D22_PreV_N=465356 "D22_PreV_1648771952.x_y" Detector: H51_D22_Sample_Div_I=1.10271e+09 H51_D22_Sample_Div_ERR=3.83923e+07 H51_D22_Sample_Div_N=3206 "H51_D22_Sample_Div_1648771952.hd_vd" Detector: H51_D22_Sample_XY_I=1.10271e+09 H51_D22_Sample_XY_ERR=3.83923e+07 H51_D22_Sample_XY_N=3206 "H51_D22_Sample_XY_1648771952.x_y" Detector: H51_D22_Sample_L_I=1.10271e+09 H51_D22_Sample_L_ERR=3.83923e+07 H51_D22_Sample_L_N=3206 "H51_D22_Sample_L_1648771952.L" Detector: D22_Detector_I=8.59433e+06 D22_Detector_ERR=1.45876e+06 D22_Detector_N=112 "D22_Detector_1648771952.x_y" Finally [ILL_H5: 1]. Time: 19 [s] Isotropic_Sqw: H53_IN14_Sample: 114 neutron events (out of 157) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H53_IN14_Sample: Scattering fraction=0.0499647 of incoming intensity Absorption fraction =0.11684 Single scattering intensity =5.53224e+06 (coh=4.96434e+06 inc=567899) Multiple scattering intensity =0 Isotropic_Sqw: H53_IN16_Sample: 510 neutron events (out of 562) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H53_IN16_Sample: Scattering fraction=0.0561157 of incoming intensity Absorption fraction =0.137957 Single scattering intensity =3.83005e+06 (coh=3.75091e+06 inc=79138.3) Multiple scattering intensity =0 Isotropic_Sqw: H53_D16_Sample: 3 neutron events (out of 275) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H53_D16_Sample: Scattering fraction=0.97225 of incoming intensity Absorption fraction =0.0108396 Single scattering intensity =3.74496e+07 (coh=581948 inc=3.68676e+07) Multiple scattering intensity =0 Isotropic_Sqw: H53_SADAM_Sample: Scattering fraction=0.0892363 of incoming intensity Absorption fraction =0.0764855 Single scattering intensity =223630 (coh=223630 inc=0) Multiple scattering intensity =0 Isotropic_Sqw: H51_D22_Sample: 2 neutron events (out of 1665) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: H51_D22_Sample: Scattering fraction=0.97561 of incoming intensity Absorption fraction =0.00979204 Single scattering intensity =1.04657e+08 (coh=3.13247e+06 inc=1.01524e+08) Multiple scattering intensity =0 INFO: Placing instr file copy /zhome/89/0/38697/TESTS/2022-04-01/McStas_GPU_PGCC_TESLA_KISS_5e7/ILL_H5/ILL_H5.instr in dataset 1 loading system configuration loading override configuration from /zhome/89/0/38697/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_GPU_PGCC_TESLA_KISS/mccode_config.json