INFO: Using directory: "1" INFO: Using existing c-file: ./Samples_Isotropic_Sqw.c INFO: Using existing binary: ./Samples_Isotropic_Sqw.out INFO: === Simulation 'Samples_Isotropic_Sqw' (/Users/peterwillendrup/tmp/mcstas-test/20240617_1000_29/mcstas-3.4.49_Darwin/Samples_Isotropic_Sqw/Samples_Isotropic_Sqw.instr): running on 10 nodes (master is 'CIN-969631', MPI version 3.1). [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize [Samples_Isotropic_Sqw] Initialize Isotropic_Sqw: Sample: is a cylinder: radius=0.010000 thickness=0.000000 height=0.055000 [J Comp Phys 228 (2009) 5251] Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/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 '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/Users/peterwillendrup/miniforge3/share/mcstas/resources/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 *** TRACE end *** Save [Samples_Isotropic_Sqw] Detector: PSD_I=7.31578e-06 PSD_ERR=1.66681e-09 PSD_N=1.92641e+07 "PSD_1718619433.x_y" Detector: Out_I=2.19429e-06 Out_ERR=3.59291e-10 Out_N=3.99913e+07 "out.dat" Detector: M_theta_t_I=1.6251e-07 M_theta_t_ERR=9.87172e-11 M_theta_t_N=2.91844e+06 "M_theta_t_1718619434.t_A" Detector: M_aw_I=3.2218e-07 M_aw_ERR=1.38995e-10 M_aw_N=5.78397e+06 "M_aw_1718619434.A_E" Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 7 [s] Isotropic_Sqw: Sample: 72637086 neutron events (out of 119662777) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 514054 neutron events (out of 47025691) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.116517 of incoming intensity Absorption fraction =0.101698 Single scattering intensity =2.02967e-06 (coh=1.87167e-06 inc=1.58e-07) Multiple scattering intensity =1.64617e-07 INFO: Placing instr file copy /Users/peterwillendrup/tmp/mcstas-test/20240617_1000_29/mcstas-3.4.49_Darwin/Samples_Isotropic_Sqw/Samples_Isotropic_Sqw.instr in dataset 1