INFO: Using directory: "1" INFO: Using existing c-file: ./HZB_NEAT.c INFO: Using existing binary: ./HZB_NEAT.out INFO: === Simulation 'HZB_NEAT' (HZB_NEAT.instr): running on 20 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). 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: 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: 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: 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: 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: 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: Detailed NEAT/TOF configuration 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: 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] * 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] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.060000 depth=0.002000 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (Table_Read_Offset) HZB_NEAT: Detailed NEAT/TOF configuration HZB_NEAT: Detailed NEAT/TOF configuration 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: 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 * 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: 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] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (Table_Read_Offset) [HZB_NEAT] Initialize [HZB_NEAT] Initialize [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] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_inc.sqw' (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: 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] 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: 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] Initialize * 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 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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 '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/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 '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) *** TRACE end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.92722e+07 Guide_PSD_ERR=157971 Guide_PSD_N=1.41891e+06 "Guide_PSD_1765517114.y_x" Detector: Guide_Lambda_I=3.97007e+07 Guide_Lambda_ERR=111776 Guide_Lambda_N=708969 "Guide_Lambda_1765517114.L" Detector: Guide2_PSD_I=5.01803e+06 Guide2_PSD_ERR=10293.8 Guide2_PSD_N=1.1807e+06 "Guide2_PSD_1765517114.x_y" Detector: Guide2_Lambda_I=2.51229e+06 Guide2_Lambda_ERR=7282.18 Guide2_Lambda_N=590313 "Guide2_Lambda_1765517114.L" Detector: Guide2_dXY_I=5.01797e+06 Guide2_dXY_ERR=10293.7 Guide2_dXY_N=1.18064e+06 "Guide2_dXY_1765517114.hd_vd" Detector: Guide_time_I=2.17553e+06 Guide_time_ERR=6776.63 Guide_time_N=514053 "Guide_time_1765517114.t" Detector: Ideal_Det_I=6169.22 Ideal_Det_ERR=16.8476 Ideal_Det_N=428602 "Ideal_Det_1765517119.A_t" Finally [HZB_NEAT: 1]. Time: 10 [s] Finally [HZB_NEAT: 1]. Time: 9 [s] Finally [HZB_NEAT: 1]. Time: 10 [s] Finally [HZB_NEAT: 1]. Time: 9 [s] Detector: Detector_I=547.515 Detector_ERR=5.02718 Detector_N=37044 "NEAT.psd" Finally [HZB_NEAT: 1]. Time: 9 [s] Finally [HZB_NEAT: 1]. Time: 10 [s] Finally [HZB_NEAT: 1]. Time: 9 [s] Finally [HZB_NEAT: 1]. Time: 10 [s] Finally [HZB_NEAT: 1]. Time: 11 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 9 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 6 [s] Finally [HZB_NEAT: 1]. Time: 9 [s] Isotropic_Sqw: Sample: 20684304 neutron events (out of 22878210) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 4279 neutron events (out of 2193906) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.017549 of incoming intensity Absorption fraction =0.169214 Single scattering intensity =25792.6 (coh=23608.1 inc=2184.51) Multiple scattering intensity =581.656 INFO: Placing instr file copy HZB_NEAT.instr in dataset 1 INFO: Placing generated c-code copy HZB_NEAT.c in dataset 1