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_D4.c INFO: Using existing binary: ./ILL_D4.out INFO: === Simulation 'ILL_D4' (/home/nexmap/pkwi/TESTS/2023-02-01/McStas_8GPU_5e7/ILL_D4/ILL_D4.instr): running on 5 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 5 GPU devices on rank 4. Will use device 4. Have found 5 GPU devices on rank 3. Will use device 3. Have found 5 GPU devices on rank 1. Will use device 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. ILL_D4: Detailed DIF configuration * Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV] KI=8.976 [Angs-1] Vi=5651.48 [m/s] ILL_D4: Detailed DIF configuration * Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV] KI=8.976 [Angs-1] Vi=5651.48 [m/s] * Monochromator: DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg] ILL_D4: Detailed DIF configuration * Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV] KI=8.976 [Angs-1] Vi=5651.48 [m/s] * Monochromator: DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg] ILL_D4: Detailed DIF configuration * Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV] KI=8.976 [Angs-1] Vi=5651.48 [m/s] * Monochromator: DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg] * Monochromator: DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg] [ILL_D4] Initialize [ILL_D4] Initialize [ILL_D4] Initialize [ILL_D4] Initialize ILL_D4: Detailed DIF configuration * Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV] KI=8.976 [Angs-1] Vi=5651.48 [m/s] * Monochromator: DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg] [ILL_D4] Initialize Isotropic_Sqw: Sample: is a cylinder: radius=0.004000 thickness=0.000000 height=0.040000 [J Comp Phys 228 (2009) 5251] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/SiO2_liq.qSq' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/SiO2_liq.qSq' (Table_Read_Offset) Isotropic_Sqw: Sample: Computing scattering unit density V_rho=0.0220518 [AA^-3] from density=2.2 [g/cm^3] weight=60.08 [g/mol]. Isotropic_sqw: Converting 2467 S(q) from SiO2_liq.qSq into S(q,w) data Isotropic_sqw: q range [0:49.971], creating 2467 elements vector Isotropic_Sqw: Sample: Generated SiO2_liq.qSq coherent Sqw q=[0:49.971 Angs-1] w=[0:0 meV] |S|=1.01457 size=[2499x1] sigma=10.6 [barns] Mainly elastic scattering. Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=0.0056 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. Isotropic_Sqw: Sample: Focusing can only apply for single scattering. Setting to order=1. *** TRACE end *** Save [ILL_D4] Detector: PSD_I=2.81775e+09 PSD_ERR=1.02645e+06 PSD_N=7.54534e+06 "PSD1.dat" Detector: Lmon1_I=1.01086e+10 Lmon1_ERR=1.9441e+06 Lmon1_N=2.70702e+07 "Lmon1.dat" Detector: Lmon2_I=4.30957e+09 Lmon2_ERR=401267 Lmon2_N=1.15463e+08 "Lmon2.dat" Detector: Sample_mon_I=1.84356e+08 Sample_mon_ERR=27589.9 Sample_mon_N=4.46734e+07 "Sample_mon_1675221131.x_y" Detector: BananaTheta_I=1.4586e+06 BananaTheta_ERR=634.188 BananaTheta_N=9.62618e+06 "BananaTheta_1675221131.th" Detector: BananaPSD_I=1.75437e+06 BananaPSD_ERR=708.39 BananaPSD_N=1.13105e+07 "BananaPSD_1675221131.th_y" Finally [ILL_D4: 1]. Time: 16 [s] Finally [ILL_D4: 1]. Time: 16 [s] Finally [ILL_D4: 1]. Time: 16 [s] Finally [ILL_D4: 1]. Time: 16 [s] Finally [ILL_D4: 1]. Time: 16 [s] Isotropic_Sqw: Sample: 28 neutron events (out of 18652708) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: Scattering fraction=0.136697 of incoming intensity Absorption fraction =0.00621258 Single scattering intensity =2.86037e+06 (coh=2.85848e+06 inc=1895.67) Multiple scattering intensity =0 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-02-01/McStas_8GPU_5e7/ILL_D4/ILL_D4.instr in dataset 1