loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas-2.x_CPU_MPICC/mccode_config.json 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/2023-12-20/McStas-2.x_CPU_MPICC_5e7/HZB_NEAT/HZB_NEAT.instr): running on 16 nodes (master is 'elearn1.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] 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL 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=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.060000 depth=0.002000 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: 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: 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: 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 Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Y2O3.laz' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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 '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Save [HZB_NEAT] Detector: Guide_PSD_I=7.95431e+07 Guide_PSD_ERR=70777.8 Guide_PSD_N=7.0933e+06 "Guide_PSD_1703030497.y_x" Detector: Guide_Lambda_I=3.97335e+07 Guide_Lambda_ERR=50018.6 Guide_Lambda_N=3.54468e+06 "Guide_Lambda_1703030497.L" Detector: Guide2_PSD_I=5.03868e+06 Guide2_PSD_ERR=4613.92 Guide2_PSD_N=5.90552e+06 "Guide2_PSD_1703030497.x_y" Detector: Guide2_Lambda_I=2.51714e+06 Guide2_Lambda_ERR=3260.74 Guide2_Lambda_N=2.95203e+06 "Guide2_Lambda_1703030497.L" Detector: Guide2_dXY_I=5.03859e+06 Guide2_dXY_ERR=4613.87 Guide2_dXY_N=5.90523e+06 "Guide2_dXY_1703030497.hd_vd" Detector: Guide_time_I=2.19688e+06 Guide_time_ERR=3045.94 Guide_time_N=2.5738e+06 "Guide_time_1703030497.t" Detector: Ideal_Det_I=2056.35 Ideal_Det_ERR=5.56456 Ideal_Det_N=771817 "Ideal_Det_1703030497.A_t" Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Finally [HZB_NEAT: 2]. Time: 14 [s] Detector: Detector_I=948.726 Detector_ERR=3.84426 Detector_N=343825 "NEAT.psd" Finally [HZB_NEAT: 2]. Time: 14 [s] Isotropic_Sqw: Sample: 1212293 neutron events (out of 10969528) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 19195 neutron events (out of 9757235) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0334388 of incoming intensity Absorption fraction =0.481308 Single scattering intensity =44058.5 (coh=42486.8 inc=1571.71) Multiple scattering intensity =941.268 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/HZB_NEAT/HZB_NEAT.instr in dataset 2