INFO: Using directory: "1" INFO: Using existing c-file: ./Test_TasReso.c INFO: Using existing binary: ./Test_TasReso.out INFO: === Simulation 'Test_TasReso' (/home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/Test_TasReso/Test_TasReso.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.1). -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- [Test_TasReso] Initialize -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- [Test_TasReso] Initialize -------------------------------------------------------------------------------- Source: lambda = 4.5000 A, k = 1.3963 1/A, E = 4.0397 meV Monochromator: ki = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Analyser: kf = 1.3963, theta = 42.1165 deg, d = 3.3550, vfoc = 0.6706 m, hfoc = 1.4911 m Sample: num = 2, theta = 26.7400, 2theta = 53.4800 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- [Test_TasReso] Initialize [Test_TasReso] Initialize [Test_TasReso] Initialize [Test_TasReso] Initialize [Test_TasReso] Initialize [Test_TasReso] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.rfl' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.trm' (Table_Read_Offset) Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] Incoherent: sample_Vana: Vc=13.827 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.08 [barn] Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/TasResoTest_xtal.laz' (Table_Read_Offset) Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] c* = [1.25664 0 0] Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] Mode: lengths and angles Single_crystal: TasResoTest_xtal.laz structure a=5 b=5 c=5 aa=90 bb=90 cc=90 V0=125 Reusing input file 'HOPG.rfl' (Table_Read_Offset) Reusing input file 'HOPG.trm' (Table_Read_Offset) Single_crystal: sample_xtal: Read 6 reflections from file 'TasResoTest_xtal.laz' Single_crystal: sample_xtal: Vc=125 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=TasResoTest_xtal.laz Direct space lattice orientation: a = [0 5 3.06162e-16] b = [0 0 5] c = [5 3.06162e-16 3.06162e-16] Reciprocal space lattice orientation: a* = [-7.69468e-17 1.25664 0] b* = [-7.69468e-17 -7.69468e-17 1.25664] c* = [1.25664 0 0] *** TRACE end *** Save [Test_TasReso] Detector: psdmon_I=1025.82 psdmon_ERR=133.024 psdmon_N=118 "psd.dat" Detector: divmon_I=981.234 divmon_ERR=130.683 divmon_N=111 "div.dat" Detector: lmon_I=1025.82 lmon_ERR=133.024 lmon_N=118 "lam.dat" : 4.07023 meV , E-width : 0.0613642 meV : 4.01864 meV , E-width : 0.0600679 meV : 4.05154 meV , E-width : 0.0758318 meV Detector: emon_I=1025.82 emon_ERR=133.024 emon_N=118 "E.dat" : 4.04246 meV , E-width : 0.0383422 meV : 4.03004 meV , E-width : 0.0445209 meV : 3.99483 meV , E-width : 0.0662081 meV : 3.98434 meV , E-width : 0.0579833 meV : 4.01918 meV , E-width : 0.030553 meV Events: "reso.dat" Resolution matrix: 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 5.8893e+04 -2.3803e+04 4.6236e+03 1.1946e+04 -2.3803e+04 1.0264e+05 -5.8233e+03 -1.6454e+04 4.6236e+03 -5.8233e+03 8.3815e+02 1.2848e+03 1.1946e+04 -1.6454e+04 1.2848e+03 4.4479e+03 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 2.2713e+04 -7.3842e+03 3.2701e+02 1.5468e+03 -7.3842e+03 1.6863e+05 1.9708e+03 -2.3924e+04 3.2701e+02 1.9708e+03 2.8514e+02 -2.6824e+02 1.5468e+03 -2.3924e+04 -2.6824e+02 3.5837e+03 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 4.1537e+04 -7.3589e+03 -1.4956e+03 2.3353e+03 -7.3589e+03 1.3996e+05 -1.1779e+03 -2.1473e+04 -1.4956e+03 -1.1779e+03 4.7360e+02 -7.8644e+01 2.3353e+03 -2.1473e+04 -7.8644e+01 3.7574e+03 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 4.2004e+04 -3.1219e+04 1.9598e+03 3.3879e+03 -3.1219e+04 2.1151e+05 1.0386e+04 -3.2086e+04 1.9598e+03 1.0386e+04 1.7341e+03 -1.8497e+03 3.3879e+03 -3.2086e+04 -1.8497e+03 5.1801e+03 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 4.2380e+04 2.4186e+04 1.7222e+03 -3.3269e+03 2.4186e+04 1.1005e+05 -1.2759e+03 -1.4105e+04 1.7222e+03 -1.2759e+03 4.1597e+02 1.0982e+02 -3.3269e+03 -1.4105e+04 1.0982e+02 1.9991e+03 Finally [Test_TasReso: 1]. Time: 2 [s] Resolution matrix: 1.4810e+04 -9.9531e+02 1.5446e+02 -5.1469e+02 -9.9531e+02 7.1627e+04 -2.5986e+02 -1.1087e+04 1.5446e+02 -2.5986e+02 1.9563e+02 6.5296e+01 -5.1469e+02 -1.1087e+04 6.5296e+01 2.1774e+03 Finally [Test_TasReso: 1]. Time: 2 [s] INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2023-12-20/McStas_CPU_MPICC_KISS_1e7/Test_TasReso/Test_TasReso.instr in dataset 1