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/2022-07-01/McStas_8GPU_5e7/Test_Sqw_monitor/Test_Sqw_monitor.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 8 GPU devices on rank 4. Will use device 4. Have found 8 GPU devices on rank 0. Will use device 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: 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 Have found 8 GPU devices on rank 1. Will use device 1. 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] 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) [Test_Sqw_monitor] Initialize Have found 8 GPU devices on rank 2. Will use device 2. 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 Have found 8 GPU devices on rank 5. Will use device 5. Have found 8 GPU devices on rank 6. Will use device 6. 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 Have found 8 GPU devices on rank 3. Will use device 3. 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] 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/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=1.61498e-10 SampleIn_N=4.989e+07 "SampleIn_1656635219.x_y" Detector: Detector_nM_I=1.32951e-08 Detector_nM_ERR=1.12238e-11 Detector_nM_N=1.64275e+07 "Sqw_map.dat" Detector: Detector_nM_coh_I=7.39245e-09 Detector_nM_coh_ERR=2.93225e-12 Detector_nM_coh_N=1.0521e+07 "Sqw_single.dat" Detector: Detector_nM_inc_I=6.08755e-10 Detector_nM_inc_ERR=8.4125e-13 Detector_nM_inc_N=861781 "Sqw_inc.dat" Detector: Detector_nM_multi_I=1.21695e-10 Detector_nM_multi_ERR=1.32329e-13 Detector_nM_multi_N=2.7021e+06 "Sqw_multi.dat" Detector: Detector_nM_env_I=5.25332e-09 Detector_nM_env_ERR=1.08009e-11 Detector_nM_env_N=5.70141e+06 "Sqw_env.dat" Detector: M_total_I=5.96789e-09 M_total_ERR=7.36934e-12 M_total_N=7.53644e+06 "M_total_1656635226.A_t" Detector: M_single_coh_I=3.41797e-09 M_single_coh_ERR=1.99481e-12 M_single_coh_N=4.88466e+06 "M_single_coh_1656635226.A_t" Detector: M_single_inc_I=2.91527e-10 M_single_inc_ERR=5.82637e-13 M_single_inc_N=411085 "M_single_inc_1656635226.A_t" Detector: M_multi_I=5.73048e-11 M_multi_ERR=9.08367e-14 M_multi_N=1.27143e+06 "M_multi_1656635226.A_t" Finally [Test_Sqw_monitor: 2]. Time: 18 [s] Finally [Test_Sqw_monitor: 2]. Time: 18 [s] Finally [Test_Sqw_monitor: 2]. Time: 18 [s] Detector: M_env_container_I=2.2397e-09 M_env_container_ERR=7.06993e-12 M_env_container_N=2.55826e+06 "M_env_container_1656635226.A_t" Finally [Test_Sqw_monitor: 2]. Time: 18 [s] Finally [Test_Sqw_monitor: 2]. Time: 18 [s] Finally [Test_Sqw_monitor: 2]. Time: 18 [s] Finally [Test_Sqw_monitor: 2]. Time: 19 [s] Isotropic_Sqw: Environment_in: 19976 neutron events (out of 1457546) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Container_in: 16 neutron events (out of 1442640) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: 128058 neutron events (out of 3570164) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample_in: 2263 neutron events (out of 3442106) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample_in: Scattering fraction=0.0182076 of incoming intensity Absorption fraction =0.0487316 Single scattering intensity =1.59389e-09 (coh=8.66599e-10 inc=7.27293e-10) Multiple scattering intensity =6.94615e-11 Isotropic_Sqw: Container_out: 5 neutron events (out of 1483569) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Container_out: 65 neutron events (out of 1483564) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Environment_out: 8 neutron events (out of 1513912) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Environment_out: 30958 neutron events (out of 1513904) reached WARNING unrealistic weight. The S(q,w) norm might be too high. INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-07-01/McStas_8GPU_5e7/Test_Sqw_monitor/Test_Sqw_monitor.instr in dataset 2 loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_8GPU/mccode_config.json