loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_8GPU/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/2023-02-01/McStas_8GPU_5e7/HZB_NEAT/HZB_NEAT.instr): running on 5 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 5 GPU devices on rank 3. Will use device 3. Have found 5 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] Sample: coh=Rb_liq_coh.sqw inc=Rb_liq_inc.sqw Elastic line time: 21655.2 [us] [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/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Have found 5 GPU devices on rank 4. Will use device 4. 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 Have found 5 GPU devices on rank 2. Will use device 2. Have found 5 GPU devices on rank 1. Will use device 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] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.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 '/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/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=7.93895e+07 Guide_PSD_ERR=70713.5 Guide_PSD_N=7.09429e+06 "Guide_PSD_1675221062.y_x" Detector: Guide_Lambda_I=3.97102e+07 Guide_Lambda_ERR=50002.2 Guide_Lambda_N=3.54503e+06 "Guide_Lambda_1675221062.L" Detector: Guide2_PSD_I=5.02908e+06 Guide2_PSD_ERR=4609.75 Guide2_PSD_N=5.90579e+06 "Guide2_PSD_1675221062.x_y" Detector: Guide2_Lambda_I=2.51579e+06 Guide2_Lambda_ERR=3259.73 Guide2_Lambda_N=2.95191e+06 "Guide2_Lambda_1675221062.L" Detector: Guide2_dXY_I=5.02898e+06 Guide2_dXY_ERR=4609.71 Guide2_dXY_N=5.90552e+06 "Guide2_dXY_1675221062.hd_vd" Detector: Guide_time_I=2.19593e+06 Guide_time_ERR=3045.96 Guide_time_N=2.57196e+06 "Guide_time_1675221062.t" Detector: Ideal_Det_I=6223.37 Ideal_Det_ERR=7.57187 Ideal_Det_N=2.14598e+06 "Ideal_Det_1675221070.A_t" Finally [HZB_NEAT: 1]. Time: 22 [s] Detector: Detector_I=2921.93 Detector_ERR=5.1884 Detector_N=993450 "NEAT.psd" Finally [HZB_NEAT: 1]. Time: 22 [s] Finally [HZB_NEAT: 1]. Time: 22 [s] Finally [HZB_NEAT: 1]. Time: 22 [s] Finally [HZB_NEAT: 1]. Time: 22 [s] Isotropic_Sqw: Sample: 79983735 neutron events (out of 88554435) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 21389 neutron events (out of 8570700) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0161682 of incoming intensity Absorption fraction =0.167853 Single scattering intensity =20533.8 (coh=18388 inc=2145.8) Multiple scattering intensity =558.051 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-02-01/McStas_8GPU_5e7/HZB_NEAT/HZB_NEAT.instr in dataset 1