INFO: Using directory: "1" INFO: Using existing c-file: HZB_NEAT.c INFO: Using existing binary: HZB_NEAT.exe INFO: === HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Simulation 'HZB_NEAT' (C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\HZB_NEAT\\HZB_NEAT.instr): running on 6 nodes (master is 'DTU-CZC004CRBZ.win.dtu.dk', MPI version 2.0). HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.060000 depth=0.002000 Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_inc.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample: Temperature set to T=350 [K] Isotropic_Sqw: Sample: S(q,w) data from Rb_liq_inc.sqw (inc) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_inc.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample: 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 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample: Temperature set to T=350 [K] Isotropic_Sqw: Sample: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: 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 Opening input file 'C:\mcstas-3.4.49\lib/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file 'C:\mcstas-3.4.49\lib/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize *** TRACE end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.95335e+007 Guide_PSD_ERR=223863 Guide_PSD_N=708228 "Guide_PSD_1718615468.y_x" Detector: Guide_Lambda_I=3.97474e+007 Guide_Lambda_ERR=158282 Guide_Lambda_N=354253 "Guide_Lambda_1718615468.L" Detector: Guide2_PSD_I=5.04034e+006 Guide2_PSD_ERR=14596 Guide2_PSD_N=589435 "Guide2_PSD_1718615468.x_y" Detector: Guide2_Lambda_I=2.52133e+006 Guide2_Lambda_ERR=10326.2 Guide2_Lambda_N=295039 "Guide2_Lambda_1718615468.L" Detector: Guide2_dXY_I=5.0402e+006 Guide2_dXY_ERR=14595.8 Guide2_dXY_N=589408 "Guide2_dXY_1718615468.hd_vd" Detector: Guide_time_I=2.20397e+006 Guide_time_ERR=9651.34 Guide_time_N=257107 "Guide_time_1718615468.t" Detector: Ideal_Det_I=6228.35 Ideal_Det_ERR=23.9556 Ideal_Det_N=213046 "Ideal_Det_1718615472.A_t" Detector: Detector_I=2925.72 Detector_ERR=16.4146 Detector_N=98980 "NEAT.psd" Finally [HZB_NEAT: 1]. Time: 5 [s] Isotropic_Sqw: Sample: 10327056 neutron events (out of 11420794) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 2077 neutron events (out of 1093738) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0175385 of incoming intensity Absorption fraction =0.16922 Single scattering intensity =26087.5 (coh=23893.3 inc=2194.14) Multiple scattering intensity =589.273 Finally [HZB_NEAT: 1]. Time: 5 [s] Finally [HZB_NEAT: 1]. Time: 5 [s] Finally [HZB_NEAT: 1]. Time: 5 [s] Finally [HZB_NEAT: 1]. Time: 5 [s] Finally [HZB_NEAT: 1]. Time: 4 [s] INFO: Placing instr file copy C:\\Users\\pkwi\\mcstas-test\\20240617_1004_11\\mcstas-3.4.49_Windows\\HZB_NEAT\\HZB_NEAT.instr in dataset 1