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: "1" 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=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 * 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 * 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] 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 '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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 '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../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 '/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] % 73 Trace ETA 15 [s] % 71 Trace ETA 15 [s] % 72 Trace ETA 14 [s] % 73 Trace ETA 15 [s] % 72 Trace ETA 15 [s] % 71 Trace ETA 15 [s] % 73 Trace ETA 15 [s] % 72 Trace ETA 15 [s] % 72 Trace ETA 14 [s] % 73 Trace ETA 14 [s] % 73 Trace ETA 15 [s] % 72 Trace ETA 15 [s] % 73 Trace ETA 15 [s] % 72 Trace ETA 15 [s] % 72 Trace ETA 15 [s] % 72 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: 1]. Time: 14 [s] Finally [HZB_NEAT: 1]. Time: 14 [s] Finally [HZB_NEAT: 1]. Time: 14 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Save [HZB_NEAT] Detector: Guide_PSD_I=7.93264e+07 Guide_PSD_ERR=70679.2 Guide_PSD_N=7.08928e+06 "Guide_PSD_1703030477.y_x" Detector: Guide_Lambda_I=3.96527e+07 Guide_Lambda_ERR=49964.6 Guide_Lambda_N=3.544e+06 "Guide_Lambda_1703030477.L" Detector: Guide2_PSD_I=5.02492e+06 Guide2_PSD_ERR=4607.49 Guide2_PSD_N=5.90088e+06 "Guide2_PSD_1703030477.x_y" Detector: Guide2_Lambda_I=2.51183e+06 Guide2_Lambda_ERR=3257.1 Guide2_Lambda_N=2.95053e+06 "Guide2_Lambda_1703030477.L" Detector: Guide2_dXY_I=5.02484e+06 Guide2_dXY_ERR=4607.45 Guide2_dXY_N=5.90058e+06 "Guide2_dXY_1703030477.hd_vd" Detector: Guide_time_I=2.19298e+06 Guide_time_ERR=3043.45 Guide_time_N=2.57228e+06 "Guide_time_1703030477.t" Detector: Ideal_Det_I=6209.08 Ideal_Det_ERR=7.56134 Ideal_Det_N=2.14507e+06 "Ideal_Det_1703030480.A_t" Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Finally [HZB_NEAT: 1]. Time: 15 [s] Detector: Detector_I=2916.54 Detector_ERR=5.18195 Detector_N=993698 "NEAT.psd" Finally [HZB_NEAT: 1]. Time: 15 [s] Isotropic_Sqw: Sample: 103734279 neutron events (out of 114718043) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 21575 neutron events (out of 10983764) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0175493 of incoming intensity Absorption fraction =0.169215 Single scattering intensity =25967.7 (coh=23764.5 inc=2203.21) Multiple scattering intensity =594.417 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 1