INFO: Using directory: "2" INFO: Using existing c-file: ./HZB_NEAT.c INFO: Using existing binary: ./HZB_NEAT.out INFO: === Simulation 'HZB_NEAT' (/u/data/pkwi/WORK/mcstas-test/20240617_1024_07/mcstas-3.x-dev_run2_nexus_Linux/HZB_NEAT/HZB_NEAT.instr): running on 20 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] 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] 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 [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 end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.93444e+07 Guide_PSD_ERR=111769 Guide_PSD_N=2.83752e+06 "Guide_PSD_1718615834.y_x" Detector: Guide_Lambda_I=3.96778e+07 Guide_Lambda_ERR=79011.3 Guide_Lambda_N=1.41872e+06 "Guide_Lambda_1718615834.L" Detector: Guide2_PSD_I=5.02493e+06 Guide2_PSD_ERR=7284.92 Guide2_PSD_N=2.36098e+06 "Guide2_PSD_1718615834.x_y" Detector: Guide2_Lambda_I=2.51241e+06 Guide2_Lambda_ERR=5149.15 Guide2_Lambda_N=1.18115e+06 "Guide2_Lambda_1718615834.L" Detector: Guide2_dXY_I=5.02485e+06 Guide2_dXY_ERR=7284.86 Guide2_dXY_N=2.36086e+06 "Guide2_dXY_1718615834.hd_vd" Detector: Guide_time_I=2.18417e+06 Guide_time_ERR=4801.1 Guide_time_N=1.029e+06 "Guide_time_1718615834.t" Detector: Ideal_Det_I=2052.38 Ideal_Det_ERR=8.79329 Ideal_Det_N=308071 "Ideal_Det_1718615834.A_t" Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Detector: Detector_I=949.674 Detector_ERR=6.08556 Detector_N=137540 "NEAT.psd" Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 3 [s] Finally [HZB_NEAT: 2]. Time: 4 [s] Isotropic_Sqw: Sample: 484917 neutron events (out of 4379177) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 7693 neutron events (out of 3894260) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0334357 of incoming intensity Absorption fraction =0.48131 Single scattering intensity =43877.4 (coh=42299.2 inc=1578.14) Multiple scattering intensity =937.95 INFO: Placing instr file copy /u/data/pkwi/WORK/mcstas-test/20240617_1024_07/mcstas-3.x-dev_run2_nexus_Linux/HZB_NEAT/HZB_NEAT.instr in dataset 2