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/2022-11-01/McStas_8GPU_5e7/ILL_BRISP/ILL_BRISP.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 8 GPU devices on rank 5. Will use device 5. Have found 8 GPU devices on rank 4. Will use device 4. Have found 8 GPU devices on rank 0. Will use device 0. Have found 8 GPU devices on rank 1. Will use device 1. Have found 8 GPU devices on rank 3. Will use device 3. Have found 8 GPU devices on rank 6. Will use device 6. 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 Have found 8 GPU devices on rank 2. Will use device 2. 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 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 Isotropic_Sqw: Environment_in: is a hollow cylinder: radius=0.050000 thickness=0.002000 height=0.100000 [J Comp Phys 228 (2009) 5251] 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 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: 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. 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: 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] 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. *** TRACE end *** Save [ILL_BRISP] Detector: LmonokOUT_I=6.02527e+08 LmonokOUT_ERR=95863.2 LmonokOUT_N=5.0482e+07 "LmonokOUT_1667268642.L" Detector: Monitor1_I=6.01821e+08 Monitor1_ERR=95813.7 Monitor1_N=5.04062e+07 "Monitor1_1667268642.x_y" Detector: DC_OUT_T_I=1.01861e+07 DC_OUT_T_ERR=7191.69 DC_OUT_T_N=2.55127e+06 "DC_OUT_T_1667268642.t" Detector: HC_OUT_PSD_I=1.98541e+07 HC_OUT_PSD_ERR=10768.4 HC_OUT_PSD_N=3.62229e+06 "HC_OUT_PSD_1667268642.x_y" Detector: FC_OUT_T_I=34852.3 FC_OUT_T_ERR=32.8389 FC_OUT_T_N=1.20116e+06 "FC_OUT_T_1667268642.t" Detector: SampleXY_I=2837.68 SampleXY_ERR=3.11362 SampleXY_N=888277 "SampleXY_1667268642.x_y" Detector: Detector_I=27.8638 Detector_ERR=0.289473 Detector_N=356626 "Detector_1667268642.x_y" Detector: Detector_Q_I=27.8046 Detector_Q_ERR=0.289279 Detector_Q_N=355505 "Detector_Q_1667268642.U1" Detector: Detector_E_I=27.7573 Detector_E_ERR=0.289199 Detector_E_N=354394 "Detector_E_1667268642.U1" Finally [ILL_BRISP: 1]. Time: 10 [s] Detector: Detector_QE_I=27.7091 Detector_QE_ERR=0.28909 Detector_QE_N=353291 "Detector_QE_1667268642.U1_U2" Finally [ILL_BRISP: 1]. Time: 10 [s] Finally [ILL_BRISP: 1]. Time: 10 [s] Finally [ILL_BRISP: 1]. Time: 10 [s] 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: 189687 neutron events (out of 591093) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_in: Scattering fraction=0.478259 of incoming intensity Absorption fraction =0.00486335 Single scattering intensity =1640.26 (coh=1639.88 inc=0.387993) Multiple scattering intensity =0 Isotropic_Sqw: Sample: 90 neutron events (out of 6492410) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.12036 of incoming intensity Absorption fraction =0.518181 Single scattering intensity =348.726 (coh=0.906411 inc=347.82) Multiple scattering intensity =0 Isotropic_Sqw: Environment_out: 195105 neutron events (out of 575707) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_out: Scattering fraction=0.497643 of incoming intensity Absorption fraction =0.00486423 Single scattering intensity =729.341 (coh=729.207 inc=0.133582) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-11-01/McStas_8GPU_5e7/ILL_BRISP/ILL_BRISP.instr in dataset 1