INFO: Using directory: "5" INFO: Using existing c-file: ./Samples_Incoherent.c INFO: Using existing binary: ./Samples_Incoherent.out INFO: === Simulation 'Samples_Incoherent' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/Samples_Incoherent/Samples_Incoherent.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.1). ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen Opening -- /u/data/pkwi/McStas/mcstas/3.x-dev/data/ISIS_tables/TS2.hydrogen ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen Energy == 1.66937 327.196 Energy == 1.66937 327.196 Energy == 1.66937 327.196 Energy == 1.66937 327.196 Energy == 1.66937 327.196 ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen Energy == 1.66937 327.196 ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen Energy == 1.66937 327.196 ********************************************************************** **** This is ISIS_moderator.comp version 2.0 (25/8/05) **** **** Please check to see if your files are up-to-date **** **** http://www.isis.rl.ac.uk/Computing/Software/MC/index.htm **** ********************************************************************** Face == hydrogen Energy == 1.66937 327.196 nEnergy == 84 nEnergy == 84 nEnergy == 84 nEnergy == 84 nEnergy == 84 nEnergy == 84 nEnergy == 84 nEnergy == 84 Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str [Samples_Incoherent] Initialize Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Totals:: 0.000712473 84 181 [Samples_Incoherent] Initialize Incoherent: Vsample: The target is not defined. Using direct beam (Z-axis). Incoherent: Vsample: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] PowderN: PowN: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Isotropic_Sqw: Sqw: is a box: width=0.005000 height=0.005000 depth=0.005000 Isotropic_Sqw: Sqw: Using Isotropic elastic incoherent scattering (sigma=5.08 [barns]) Incoherent: IncS: The target is not defined. Using direct beam (Z-axis). Incoherent: IncS: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Loading geometry file (OFF/PLY): cube.off Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str Number of vertices: 8 Number of polygons: 6 Bounding box dimensions for geometry cube.off: Length=0.005000 (0.500%) Width= 0.005000 (0.500%) Depth= 0.005000 (0.500%) Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str PowderN: PowNg: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Loading geometry file (OFF/PLY): cube.off [Samples_Incoherent] Initialize Mode: Direct mode lattice Number of vertices: 8 Number of polygons: 6 Bounding box dimensions for geometry cube.off: Length=0.005000 (0.500%) Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] Width= 0.005000 (0.500%) Depth= 0.005000 (0.500%) Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c* = [0 0 4.14978] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Loading geometry file (OFF/PLY): cube.off Number of vertices: 8 Number of polygons: 6 Bounding box dimensions for geometry cube.off: Length=0.005000 (0.500%) Width= 0.005000 (0.500%) Depth= 0.005000 (0.500%) Isotropic_Sqw: Sqwg: is a volume defined from file cube.off Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Isotropic_Sqw: Sqwg: Using Isotropic elastic incoherent scattering (sigma=5.08 [barns]) Loading geometry file (OFF/PLY): cube.off Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Number of vertices: 8 Number of polygons: 6 Bounding box dimensions for geometry cube.off: Length=0.005000 (0.500%) Width= 0.005000 (0.500%) Depth= 0.005000 (0.500%) Incoherent: IncSg: The target is not defined. Using direct beam (Z-axis). Incoherent: IncSg: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Isotropic_Sqw: SqwV: is a box: width=0.005000 height=0.005000 depth=0.005000 Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str [Samples_Incoherent] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/V.lau' (Table_Read_Offset) [Samples_Incoherent] Initialize Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str [Samples_Incoherent] Initialize Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] [Samples_Incoherent] Initialize Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/V.lau' (Table_Read_Offset) Isotropic_sqw: SqwV: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high. Isotropic_sqw: Converting 3558 powder lines from V.lau into S(q,w) data Isotropic_sqw: q range [0:25.0197], creating 423 elements vector Isotropic_Sqw: SqwV: Generated V.lau coherent Sqw q=[0:24.9605 Angs-1] w=[0:0 meV] |S|=0.869429 size=[423x1] sigma=0.01834 [barns] Mainly elastic scattering. Isotropic_Sqw: SqwV: Using Isotropic elastic incoherent scattering (sigma=5.07999 [barns]) Isotropic_Sqw: SqwV: Sample temperature not defined (T=0). Warning Disabling detailed balance. Totals:: 0.000712473 84 181 Totals:: 0.000712473 84 181 Totals:: 0.000712473 84 181 Totals:: 0.000712473 84 181 Totals:: 0.000712473 84 181 Totals:: 0.000712473 84 181 [Samples_Incoherent] Initialize Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SX: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SX: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Viewport == 0.005 0.005 Moderator size == (0.12 * 0.115) m^2 Dist == 8.299 (metres) Viewport Solid angle == 0.000200361 str Solid angle used == 5.00903e-05 str Mode: Direct mode lattice Single_crystal: INC structure a=[3.0282,0,0] b=[0,3.0282,0] c=[0,0,1.5141] V0=13.8843 Single_crystal: SXg: Using incoherent elastic scattering only sigma=5.08. Single_crystal: SXg: Vc=13.8843 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] reflections=NULL Direct space lattice orientation: a = [3.0282 0 0] b = [0 3.0282 0] c = [0 0 1.5141] Reciprocal space lattice orientation: a* = [2.07489 0 0] b* = [0 2.07489 0] c* = [0 0 4.14978] Totals:: 0.000712473 84 181 *** TRACE end *** Save [Samples_Incoherent] Detector: Dirbeam_I=0 Dirbeam_ERR=0 Dirbeam_N=0 "beamstopPSD.dat" Detector: Tof_Sphere_4pi_I=1.32424e+06 Tof_Sphere_4pi_ERR=451.843 Tof_Sphere_4pi_N=9.96188e+06 "tof.L_t" Detector: PSD_Sphere_4pi_I=1.32424e+06 PSD_Sphere_4pi_ERR=451.844 PSD_Sphere_4pi_N=9.96191e+06 "PSD.dat" Finally [Samples_Incoherent: 5]. Time: 3 [s] Finally [Samples_Incoherent: 5]. Time: 3 [s] Detector: Sphere_4pi_I=9.96191e+06 Sphere_4pi_ERR=3156.25 Sphere_4pi_N=9.96191e+06 "Events.dat" Finally [Samples_Incoherent: 5]. Time: 3 [s] Finally [Samples_Incoherent: 5]. Time: 3 [s] Finally [Samples_Incoherent: 5]. Time: 3 [s] Finally [Samples_Incoherent: 5]. Time: 3 [s] Finally [Samples_Incoherent: 5]. Time: 3 [s] Finally [Samples_Incoherent: 5]. Time: 3 [s] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/Samples_Incoherent/Samples_Incoherent.instr in dataset 5