INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_H25_IN22.c INFO: Using existing binary: ./ILL_H25_IN22.out INFO: === Simulation 'ILL_H25_IN22' (/home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/ILL_H25_IN22/ILL_H25_IN22.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.0). Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] Instrument: ILL_H25 (H25@ILL thermal guide). templateTAS: Detailed TAS configuration * Incoming beam: EI=30.55 [meV] KI=3.84 [Angs-1] Vi=2417.75 [m/s] * Outgoing beam: EF=30.55 [meV] KF=3.84 [Angs-1] Vf=2417.75 [m/s] * Transfer: EN=0 [meV] QM=1 [Angs-1] Angles: A1=-14.12 A2=-28.24 A3=0 A4=14.96 A5=-14.12 A6=-28.24 [deg] Monochromator: DM=3.354 [Angs] RMH=0 [m] RMV=0.7089 [m] curved Analyzer: DA=3.354 [Angs] RAH=3.644 [m] RAV=0.2168 [m] curved Sample: Powder V.lau ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] ILL_H25_IN22: Incoming wavelength lambda=1.63625 [Angs] [ILL_H25_IN22] Initialize [ILL_H25_IN22] Initialize [ILL_H25_IN22] Initialize Source_gen: component Thermal (square 0.14 x 0.22) focusing distance dist=3.18 area=0.038 x 0.2 spectra 1.612 to 1.661 AA (29.660 to 31.495 meV) T1=683.7 K (1.178 AA), T2=257.7 K (1.919 AA), T3=16.7 K (7.539 AA) Flux is dPhi/dlambda in [n/s/cm2]. [ILL_H25_IN22] Initialize [ILL_H25_IN22] Initialize [ILL_H25_IN22] Initialize [ILL_H25_IN22] Initialize [ILL_H25_IN22] Initialize Monitor_nD: GuideOut_dxdy is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/HOPG.rfl' (Table_Read_Offset) Isotropic_Sqw: Sample: is a hollow cylinder: radius=0.010000 thickness=0.005000 height=0.050000 [J Comp Phys 228 (2009) 5251] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Isotropic_sqw: Sample: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 3558 powder lines from V.lau into S(q,w) data Isotropic_sqw: q range [0:25.0197], creating 423 elements vector Isotropic_Sqw: Sample: Generated V.lau coherent Sqw q=[0:24.9605 Angs-1] w=[0:0 meV] |S|=0.869429 size=[423x1] sigma=0.01834 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=5.07999 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Reusing input file 'HOPG.rfl' (Table_Read_Offset) *** TRACE end *** Save [ILL_H25_IN22] Detector: GuideOut_xy_I=1.67652e+07 GuideOut_xy_ERR=45656 GuideOut_xy_N=436977 "GuideOut_xy_1648765757.x_y" Detector: GuideOut_dxdy_I=1.67655e+07 GuideOut_dxdy_ERR=45656.4 GuideOut_dxdy_N=436969 "GuideOut_dxdy_1648765757.hd_vd" Detector: GuideOut_Phic_I=1.52519e+07 GuideOut_Phic_ERR=41528.5 GuideOut_Phic_N=436977 "GuideOut_Phic" Detector: GuideOut_L_I=1.67652e+07 GuideOut_L_ERR=45656 GuideOut_L_N=436977 "GuideOut_L_1648765757.L" Detector: D4_SC2_1D_I=8.41858e+08 D4_SC2_1D_ERR=1.13372e+06 D4_SC2_1D_N=1.23162e+06 "D4_SC2_1D_1648765757.L" Detector: Sample_Cradle_I=4.64492e+07 Sample_Cradle_ERR=64746.3 Sample_Cradle_N=1.09196e+06 "Sample_Cradle" Detector: D7_SC3_1D_I=1.87222e+08 D7_SC3_1D_ERR=262551 D7_SC3_1D_N=9.96088e+06 "D7_SC3_1D_1648765757.th_E" Finally [ILL_H25_IN22: 1]. Time: 9 [s] Detector: He3H_I=214.722 He3H_ERR=3.39181 He3H_N=22908 "He3H.psd" Finally [ILL_H25_IN22: 1]. Time: 9 [s] Finally [ILL_H25_IN22: 1]. Time: 9 [s] Finally [ILL_H25_IN22: 1]. Time: 9 [s] Finally [ILL_H25_IN22: 1]. Time: 9 [s] Finally [ILL_H25_IN22: 1]. Time: 9 [s] Finally [ILL_H25_IN22: 1]. Time: 9 [s] Finally [ILL_H25_IN22: 1]. Time: 9 [s] Isotropic_Sqw: Sample: Scattering fraction=0.358516 of incoming intensity Absorption fraction =0.47596 Single scattering intensity =2.63943e+06 (coh=5533.27 inc=2.6339e+06) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/ILL_H25_IN22/ILL_H25_IN22.instr in dataset 1 loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_CPU_MPICC_KISS/mccode_config.json