INFO: Using directory: "1" INFO: Using existing c-file: ./Samples_Isotropic_Sqw.c INFO: Using existing binary: ./Samples_Isotropic_Sqw.out INFO: === [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 '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../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 '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../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=7.31323e-06 PSD_ERR=1.66652e-09 PSD_N=1.92574e+07 "PSD_1648772609.x_y" Detector: Out_I=2.19386e-06 Out_ERR=3.59246e-10 Out_N=3.99888e+07 "out.dat" Detector: M_theta_t_I=1.62642e-07 M_theta_t_ERR=9.87561e-11 M_theta_t_N=2.92088e+06 "M_theta_t_1648772614.t_A" Detector: M_aw_I=1.85432e-07 M_aw_ERR=1.05463e-10 M_aw_N=3.32855e+06 "M_aw_1648772614.A_E" Finally [Samples_Isotropic_Sqw: 1]. Time: 11 [s] Isotropic_Sqw: Sample: 498746 neutron events (out of 579190) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 24691 neutron events (out of 80444) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.111174 of incoming intensity Absorption fraction =0.101528 Single scattering intensity =5.99959e-08 (coh=3.07709e-08 inc=2.9225e-08) Multiple scattering intensity =1.85856e-08 INFO: Placing instr file copy /zhome/89/0/38697/TESTS/2022-04-01/McStas_GPU_PGCC_TESLA_KISS_5e7/Samples_Isotropic_Sqw/Samples_Isotropic_Sqw.instr in dataset 1 loading system configuration loading override configuration from /zhome/89/0/38697/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_GPU_PGCC_TESLA_KISS/mccode_config.json