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: ./Test_Sqw.c INFO: Using existing binary: ./Test_Sqw.out INFO: === Simulation 'Test_Sqw' (/home/nexmap/pkwi/TESTS/2023-03-01/McStas_8GPU_5e7/Test_Sqw/Test_Sqw.instr): running on 2 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 3 GPU devices on rank 0. Will use device 0. [Test_Sqw] Initialize Isotropic_Sqw: Sqw: is a cylinder: radius=0.005000 thickness=0.000000 height=0.100000 [J Comp Phys 228 (2009) 5251] Have found 3 GPU devices on rank 1. Will use device 1. [Test_Sqw] Initialize Isotropic_Sqw: Sqw: Temperature set to T=350 [K] Isotropic_Sqw: Sqw: S(q,w) data from Rb_liq_tot.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sqw: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_tot.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sqw: Generated Rb_liq_tot.sqw coherent Sqw q=[0.3:5.5 Angs-1] w=[0:21.7725 meV] |S|=0.237096 size=[105x199] sigma=6.32 [barns] normalization factor S(q,w)*0.114853 (auto) \int q^2 S(q) dq=481.095 Isotropic_Sqw: Sqw: Using Isotropic elastic incoherent scattering (sigma=0.5 [barns]) *** TRACE end *** Save [Test_Sqw] Finally [Test_Sqw: 1]. Time: 1 [s] Detector: Sph_mon_I=1.21052e+08 Sph_mon_ERR=111732 Sph_mon_N=1.17392e+06 "Sphere.dat" Finally [Test_Sqw: 1]. Time: 1 [s] Isotropic_Sqw: Sqw: Scattering fraction=0.0231617 of incoming intensity Absorption fraction =0.0697506 Single scattering intensity =6.05469e+07 (coh=4.3391e+07 inc=1.71559e+07) Multiple scattering intensity =1.65907e+06 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-03-01/McStas_8GPU_5e7/Test_Sqw/Test_Sqw.instr in dataset 1