loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas-2.x_CPU_MPICC/mccode_config.json 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' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/Samples_Isotropic_Sqw/Samples_Isotropic_Sqw.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', 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 [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] [Samples_Isotropic_Sqw] Initialize Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.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 '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/home/nexmap/pkwi/McStas/mcstas/2.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 ETA 14 [s] % 75 Trace ETA 15 [s] % 72 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 Trace ETA 15 [s] % 73 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 74 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 77 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 75 Trace ETA 14 [s] % 76 Trace ETA 14 [s] % 75 75 75 75 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 85 85 85 85 85 85 85 85 85 85 85 85 85 85 85 85 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 90 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Save [Samples_Isotropic_Sqw] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Detector: PSD_I=7.31362e-06 PSD_ERR=1.66657e-09 PSD_N=1.92584e+07 "PSD_1703031934.x_y" Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Detector: Out_I=2.19422e-06 Out_ERR=3.59288e-10 Out_N=3.99919e+07 "out.dat" Detector: M_theta_t_I=1.62603e-07 M_theta_t_ERR=9.87574e-11 M_theta_t_N=2.91957e+06 "M_theta_t_1703031937.t_A" Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Detector: M_aw_I=3.22572e-07 M_aw_ERR=1.39092e-10 M_aw_N=5.79053e+06 "M_aw_1703031937.A_E" Finally [Samples_Isotropic_Sqw: 1]. Time: 14 [s] Isotropic_Sqw: Sample: 72625178 neutron events (out of 119653865) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 512962 neutron events (out of 47028687) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.116518 of incoming intensity Absorption fraction =0.101698 Single scattering intensity =2.02956e-06 (coh=1.87147e-06 inc=1.58086e-07) Multiple scattering intensity =1.64665e-07 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas-2.x_CPU_MPICC_5e7/Samples_Isotropic_Sqw/Samples_Isotropic_Sqw.instr in dataset 1