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: ./ILL_BRISP.c INFO: Using existing binary: ./ILL_BRISP.out INFO: === Simulation 'ILL_BRISP' (/home/nexmap/pkwi/TESTS/2023-02-01/McStas_8GPU_5e7/ILL_BRISP/ILL_BRISP.instr): running on 5 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 5 GPU devices on rank 2. Will use device 2. Have found 5 GPU devices on rank 0. Will use device 0. Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 [ILL_BRISP] Initialize Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 [ILL_BRISP] Initialize Isotropic_Sqw: Environment_in: is a hollow cylinder: radius=0.050000 thickness=0.002000 height=0.100000 [J Comp Phys 228 (2009) 5251] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Have found 5 GPU devices on rank 3. Will use device 3. Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Isotropic_sqw: Environment_in: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 2204 powder lines from Al.lau into S(q,w) data Isotropic_sqw: q range [0:12.5088], creating 389 elements vector Isotropic_Sqw: Environment_in: Generated Al.lau coherent Sqw q=[0:12.4767 Angs-1] w=[0:0 meV] |S|=11.5875 size=[389x1] sigma=5.98 [barns] Mainly elastic scattering. Isotropic_Sqw: Environment_in: Using Isotropic elastic incoherent scattering (sigma=0.0328 [barns]) Isotropic_Sqw: Environment_in: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: Container_in: is a hollow box: width=0.050200 height=0.050200 depth=0.004200 Isotropic_Sqw: Container_in: ERROR importing data files (Sqw_init coh=NULL inc=). Isotropic_Sqw: Container_in: Scattering cross section is zero ERROR (sigma_coh, sigma_inc). Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.050000 depth=0.004000 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Have found 5 GPU devices on rank 1. Will use device 1. Have found 5 GPU devices on rank 4. Will use device 4. Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/V.lau' (Table_Read_Offset) Isotropic_sqw: Sample: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 3558 powder lines from V.lau into S(q,w) data Isotropic_sqw: q range [0:25.0197], creating 423 elements vector Isotropic_Sqw: Sample: Generated V.lau coherent Sqw q=[0:24.9605 Angs-1] w=[0:0 meV] |S|=0.869429 size=[423x1] sigma=0.01834 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=5.07999 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: Container_out: is a hollow box: width=0.050200 height=0.050200 depth=0.004200 Isotropic_Sqw: Container_out: ERROR importing data files (Sqw_init coh=NULL inc=). Isotropic_Sqw: Container_out: Scattering cross section is zero ERROR (sigma_coh, sigma_inc). Isotropic_Sqw: Environment_out: is a hollow cylinder: radius=0.050000 thickness=0.002000 height=0.100000 [J Comp Phys 228 (2009) 5251] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.lau' (Table_Read_Offset) Isotropic_sqw: Environment_out: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 2204 powder lines from Al.lau into S(q,w) data Isotropic_sqw: q range [0:12.5088], creating 389 elements vector Isotropic_Sqw: Environment_out: Generated Al.lau coherent Sqw q=[0:12.4767 Angs-1] w=[0:0 meV] |S|=11.5875 size=[389x1] sigma=5.98 [barns] Mainly elastic scattering. Isotropic_Sqw: Environment_out: Using Isotropic elastic incoherent scattering (sigma=0.0328 [barns]) Isotropic_Sqw: Environment_out: Sample temperature not defined (T=0). Warning Disabling detailed balance. Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 [ILL_BRISP] Initialize [ILL_BRISP] Initialize Instrument ILL_BRISP: Time of Flight Neutron Spectrometer for Small Angle Inelastic Scattering Monochr. Bragg angle [deg] 17.5 Wavelength [AA] 2.01774 Neutron velocity [m/s] 1960.63 Incident Energy [meV] 20.0931 Travel time: Disk./Fermi [us] 2060.56 CHOP Disk Speed [rpm] 3740 CHOP Fermi Speed [rpm] 14960 (249.333 [Hz], 1566.61 [rad/s]) CHOP Disk Phase [deg] 184.956 CHOP Fermi Phase [deg] 0 Dist. Monochromator-Fermi [m] 5.54 Dist. Disk-Fermi [m] 4.04 Dist. Sample-Detector [m] 4.5 [ILL_BRISP] Initialize *** TRACE end *** Save [ILL_BRISP] Detector: LmonokOUT_I=6.02814e+08 LmonokOUT_ERR=95888.8 LmonokOUT_N=5.05031e+07 "LmonokOUT_1675221101.L" Detector: Monitor1_I=6.02111e+08 Monitor1_ERR=95839.5 Monitor1_N=5.04278e+07 "Monitor1_1675221101.x_y" Detector: DC_OUT_T_I=1.01923e+07 DC_OUT_T_ERR=7193.37 DC_OUT_T_N=2.5543e+06 "DC_OUT_T_1675221101.t" Detector: HC_OUT_PSD_I=1.9865e+07 HC_OUT_PSD_ERR=10770.9 HC_OUT_PSD_N=3.62489e+06 "HC_OUT_PSD_1675221101.x_y" Detector: FC_OUT_T_I=34878.6 FC_OUT_T_ERR=32.8457 FC_OUT_T_N=1.20254e+06 "FC_OUT_T_1675221101.t" Detector: SampleXY_I=2841.82 SampleXY_ERR=3.11548 SampleXY_N=889733 "SampleXY_1675221101.x_y" Detector: Detector_I=28.508 Detector_ERR=0.399207 Detector_N=351312 "Detector_1675221101.x_y" Detector: Detector_Q_I=28.4354 Detector_Q_ERR=0.399004 Detector_Q_N=350185 "Detector_Q_1675221101.U1" Detector: Detector_E_I=28.3411 Detector_E_ERR=0.398637 Detector_E_N=349090 "Detector_E_1675221101.U1" Finally [ILL_BRISP: 1]. Time: 10 [s] Finally [ILL_BRISP: 1]. Time: 10 [s] Detector: Detector_QE_I=28.2691 Detector_QE_ERR=0.398418 Detector_QE_N=347999 "Detector_QE_1675221101.U1_U2" Finally [ILL_BRISP: 1]. Time: 10 [s] Finally [ILL_BRISP: 1]. Time: 10 [s] Finally [ILL_BRISP: 1]. Time: 10 [s] Isotropic_Sqw: Environment_in: 186736 neutron events (out of 583238) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_in: Scattering fraction=0.476243 of incoming intensity Absorption fraction =0.00486 Single scattering intensity =1618.34 (coh=1618.06 inc=0.278637) Multiple scattering intensity =0 Isotropic_Sqw: Sample: 58 neutron events (out of 7312948) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.115223 of incoming intensity Absorption fraction =0.513225 Single scattering intensity =396.29 (coh=0.923505 inc=395.367) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 197602 neutron events (out of 584247) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_out: Scattering fraction=0.498171 of incoming intensity Absorption fraction =0.00486831 Single scattering intensity =739.821 (coh=739.44 inc=0.380898) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-02-01/McStas_8GPU_5e7/ILL_BRISP/ILL_BRISP.instr in dataset 1