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/2022-04-01/McStas_8GPU_5e7/HZB_NEAT/HZB_NEAT.instr): running on 8 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 1 GPU devices on rank 1. Will use device 0. Have found 1 GPU devices on rank 2. Will use device 0. Have found 1 GPU devices on rank 0. Will use device 0. 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=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] 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 Have found 1 GPU devices on rank 4. Will use device 0. Have found 1 GPU devices on rank 3. Will use device 0. 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 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] Have found 1 GPU devices on rank 7. Will use device 0. Have found 1 GPU devices on rank 5. Will use device 0. Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.060000 depth=0.002000 [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 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] Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize Have found 1 GPU devices on rank 6. Will use device 0. 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 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/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.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 '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../contrib/Gas_tables/He3inCF4.table' (Table_Read_Offset) *** TRACE end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.94036e+07 Guide_PSD_ERR=70716.7 Guide_PSD_N=7.09317e+06 "Guide_PSD_1648770723.y_x" Detector: Guide_Lambda_I=3.97061e+07 Guide_Lambda_ERR=49990.7 Guide_Lambda_N=3.54553e+06 "Guide_Lambda_1648770723.L" Detector: Guide2_PSD_I=5.02929e+06 Guide2_PSD_ERR=4609.42 Guide2_PSD_N=5.90354e+06 "Guide2_PSD_1648770723.x_y" Detector: Guide2_Lambda_I=2.51493e+06 Guide2_Lambda_ERR=3258.44 Guide2_Lambda_N=2.95216e+06 "Guide2_Lambda_1648770723.L" Detector: Guide2_dXY_I=5.0292e+06 Guide2_dXY_ERR=4609.38 Guide2_dXY_N=5.90327e+06 "Guide2_dXY_1648770723.hd_vd" Detector: Guide_time_I=2.19598e+06 Guide_time_ERR=3045.51 Guide_time_N=2.57326e+06 "Guide_time_1648770723.t" Detector: Ideal_Det_I=6238.13 Ideal_Det_ERR=7.5804 Ideal_Det_N=2.14652e+06 "Ideal_Det_1648770730.A_t" Detector: Detector_I=2923.45 Detector_ERR=5.18755 Detector_N=992009 "NEAT.psd" Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Finally [HZB_NEAT: 1]. Time: 26 [s] Isotropic_Sqw: Sample: 82842746 neutron events (out of 90911554) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 21312 neutron events (out of 8068808) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0174031 of incoming intensity Absorption fraction =0.169535 Single scattering intensity =17308.1 (coh=15221.3 inc=2086.8) Multiple scattering intensity =531.06 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-04-01/McStas_8GPU_5e7/HZB_NEAT/HZB_NEAT.instr in dataset 1 loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_8GPU/mccode_config.json