INFO: Using directory: "2" INFO: Using existing c-file: ./HZB_NEAT.c INFO: Using existing binary: ./HZB_NEAT.out INFO: === Simulation 'HZB_NEAT' (/home/nexmap/pkwi/TESTS/2024-06-17/mcstas-3.x-dev_panda2_Linux/HZB_NEAT/HZB_NEAT.instr): running on 16 nodes (master is 'panda2.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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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] 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Sample: coh=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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 [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/Y2O3.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Y2O3.laz' (Table_Read_Offset) Isotropic_sqw: Converting 871 powder lines from Y2O3.laz into S(q,w) data Isotropic_sqw: q range [0:12.6779], creating 1496 elements vector Isotropic_Sqw: Sample: Generated Y2O3.laz coherent Sqw q=[0:12.6695 Angs-1] w=[0:0 meV] |S|=0.0429979 size=[1496x1] sigma=444.64 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=4.832 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. 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 ETA (16 MPI processes) 11 [s] 99 % *** TRACE end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.93505e+07 Guide_PSD_ERR=70689.8 Guide_PSD_N=7.09435e+06 "Guide_PSD_1718578492.y_x" Detector: Guide_Lambda_I=3.96991e+07 Guide_Lambda_ERR=49986 Guide_Lambda_N=3.54515e+06 "Guide_Lambda_1718578492.L" Detector: Guide2_PSD_I=5.02554e+06 Guide2_PSD_ERR=4607.54 Guide2_PSD_N=5.90398e+06 "Guide2_PSD_1718578492.x_y" Detector: Guide2_Lambda_I=2.51433e+06 Guide2_Lambda_ERR=3258.08 Guide2_Lambda_N=2.95233e+06 "Guide2_Lambda_1718578492.L" Detector: Guide2_dXY_I=5.02545e+06 Guide2_dXY_ERR=4607.5 Guide2_dXY_N=5.9037e+06 "Guide2_dXY_1718578492.hd_vd" Detector: Guide_time_I=2.19124e+06 Guide_time_ERR=3041.94 Guide_time_N=2.5724e+06 "Guide_time_1718578492.t" Detector: Ideal_Det_I=2062.17 Ideal_Det_ERR=5.57514 Ideal_Det_N=771328 "Ideal_Det_1718578492.A_t" Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Detector: Detector_I=953.844 Detector_ERR=3.8568 Detector_N=344148 "NEAT.psd" Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Finally [HZB_NEAT: 2]. Time: 11 [s] Isotropic_Sqw: Sample: 1210772 neutron events (out of 10949667) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 19005 neutron events (out of 9738895) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.033439 of incoming intensity Absorption fraction =0.481307 Single scattering intensity =44020.5 (coh=42445.2 inc=1575.28) Multiple scattering intensity =942.955 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2024-06-17/mcstas-3.x-dev_panda2_Linux/HZB_NEAT/HZB_NEAT.instr in dataset 2