loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_CPU_MPICC_KISS/mccode_config.json INFO: Using directory: "2" INFO: Using existing c-file: ./Test_Sqw_monitor.c INFO: Using existing binary: ./Test_Sqw_monitor.out INFO: === Simulation 'Test_Sqw_monitor' (/home/nexmap/pkwi/TESTS/2022-11-01/McStas_CPU_MPICC_KISS_1e7/Test_Sqw_monitor/Test_Sqw_monitor.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.0). Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz Test_Sqw_monitor: lambda=1.6 [Angs], k=3.92699 [Angs-1], v=2472.52 [m/s], E=31.9548 [meV]. Time=[0.00121334 0.00161778 0.00242667] Test_Sqw_monitor: sample is Rb_liq_coh.sqw, with hollow cylindrical geometry. Test_Sqw_monitor: detector is cylindrical with radius=4 [m] height=3 [m] and 468 tubes [1 inch] [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize Test_Sqw_monitor: container is Al.laz (outer cylinder) Test_Sqw_monitor: external environment is Al.laz [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize [Test_Sqw_monitor] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Isotropic_Sqw: Sample_in: is a hollow cylinder: radius=0.005000 thickness=0.001000 height=0.030000 [J Comp Phys 228 (2009) 5251] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_inc.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample_in: Temperature set to T=350 [K] Isotropic_Sqw: Sample_in: S(q,w) data from Rb_liq_inc.sqw (inc) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample_in: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_inc.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample_in: 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 '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Rb_liq_coh.sqw' (Table_Read_Offset) Isotropic_Sqw: Sample_in: Temperature set to T=350 [K] Isotropic_Sqw: Sample_in: S(q,w) data from Rb_liq_coh.sqw (coh) assumed to be classical (symmetrised in energy). Isotropic_Sqw: Sample_in: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_coh.sqw file (classical/symmetric) using 'Frommhold' quantum correction Isotropic_Sqw: Sample_in: 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 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Al.laz' (Table_Read_Offset) *** TRACE end *** Save [Test_Sqw_monitor] Detector: SampleIn_I=1.14062e-06 SampleIn_ERR=3.61121e-10 SampleIn_N=9.97799e+06 "SampleIn_1667261630.x_y" Detector: Detector_nM_I=1.32652e-08 Detector_nM_ERR=2.49616e-11 Detector_nM_N=3.2866e+06 "Sqw_map.dat" Detector: Detector_nM_coh_I=7.39844e-09 Detector_nM_coh_ERR=6.56315e-12 Detector_nM_coh_N=2.1046e+06 "Sqw_single.dat" Detector: Detector_nM_inc_I=6.09693e-10 Detector_nM_inc_ERR=1.88207e-12 Detector_nM_inc_N=172792 "Sqw_inc.dat" Detector: Detector_nM_multi_I=1.2158e-10 Detector_nM_multi_ERR=2.95228e-13 Detector_nM_multi_N=540232 "Sqw_multi.dat" Detector: Detector_nM_env_I=5.21635e-09 Detector_nM_env_ERR=2.40087e-11 Detector_nM_env_N=1.14176e+06 "Sqw_env.dat" Detector: M_total_I=5.95447e-09 M_total_ERR=1.6363e-11 M_total_N=1.50837e+06 "M_total_1667261649.A_t" Detector: M_single_coh_I=3.42304e-09 M_single_coh_ERR=4.46494e-12 M_single_coh_N=977619 "M_single_coh_1667261649.A_t" Detector: M_single_inc_I=2.92765e-10 M_single_inc_ERR=1.3079e-12 M_single_inc_N=82385 "M_single_inc_1667261649.A_t" Detector: M_multi_I=5.73658e-11 M_multi_ERR=2.02673e-13 M_multi_N=254412 "M_multi_1667261649.A_t" Finally [Test_Sqw_monitor: 2]. Time: 16 [s] Finally [Test_Sqw_monitor: 2]. Time: 15 [s] Finally [Test_Sqw_monitor: 2]. Time: 11 [s] Finally [Test_Sqw_monitor: 2]. Time: 15 [s] Detector: M_env_container_I=2.21969e-09 M_env_container_ERR=1.56869e-11 M_env_container_N=511695 "M_env_container_1667261649.A_t" Finally [Test_Sqw_monitor: 2]. Time: 16 [s] Finally [Test_Sqw_monitor: 2]. Time: 16 [s] Finally [Test_Sqw_monitor: 2]. Time: 14 [s] Finally [Test_Sqw_monitor: 2]. Time: 15 [s] Isotropic_Sqw: Environment_in: 4022 neutron events (out of 1012854) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Container_in: 3 neutron events (out of 913093) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: 25697 neutron events (out of 9932469) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 493 neutron events (out of 9906772) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.0209525 of incoming intensity Absorption fraction =0.0492318 Single scattering intensity =2.33062e-08 (coh=2.15762e-08 inc=1.73002e-09) Multiple scattering intensity =3.47192e-10 Isotropic_Sqw: Container_out: 18 neutron events (out of 916080) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_out: 6158 neutron events (out of 1003555) reached WARNING unrealistic weight. The S(q,w) norm might be too high. INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-11-01/McStas_CPU_MPICC_KISS_1e7/Test_Sqw_monitor/Test_Sqw_monitor.instr in dataset 2