INFO: Using directory: "1" INFO: Using existing c-file: ./Test_TasReso.c INFO: Using existing binary: ./Test_TasReso.out INFO: === Simulation 'Test_TasReso' (/u/data/pkwi/TESTS/2025-12-12/ANTLR_openacc_mpi_x_7_1e7_Linux_1e7/Test_TasReso/Test_TasReso.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 8 GPU devices on rank 0. Will use device 0. Have found 8 GPU devices on rank 6. Will use device 6. -------------------------------------------------------------------------------- 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 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) Have found 8 GPU devices on rank 3. Will use device 3. 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) Have found 8 GPU devices on rank 1. Will use device 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 -------------------------------------------------------------------------------- [Test_TasReso] Initialize [Test_TasReso] Initialize 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] Reusing input file 'HOPG.rfl' (Table_Read_Offset) Reusing input file 'HOPG.trm' (Table_Read_Offset) Have found 8 GPU devices on rank 2. Will use device 2. -------------------------------------------------------------------------------- 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 [Test_TasReso] Initialize Have found 8 GPU devices on rank 4. Will use device 4. -------------------------------------------------------------------------------- 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 Have found 8 GPU devices on rank 5. Will use device 5. -------------------------------------------------------------------------------- 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 *** TRACE end *** Save [Test_TasReso] Detector: psdmon_I=981.247 psdmon_ERR=133.158 psdmon_N=107 "psd.dat" Detector: divmon_I=954.358 divmon_ERR=131.466 divmon_N=102 "div.dat" Detector: lmon_I=981.247 lmon_ERR=133.158 lmon_N=107 "lam.dat" : 4.0486 meV , E-width : 0.0768456 meV : 4.01844 meV , E-width : 0.0613127 meV : 3.99294 meV , E-width : 0.056918 meV : 4.06563 meV , E-width : 0.0703359 meV : 4.04245 meV , E-width : 0.0383454 meV Detector: emon_I=981.247 emon_ERR=133.158 emon_N=107 "E.dat" : 4.0043 meV , E-width : 0.0653398 meV : 4.01868 meV , E-width : 0.0284405 meV Events: "reso.dat" Resolution calculation used 18 neutron events. Covariance matrix: 7.4518e-05 -5.3871e-05 -7.2356e-05 -4.0242e-04 -5.3871e-05 1.1671e-04 -7.0186e-05 7.8419e-04 -7.2356e-05 -7.0186e-05 3.9769e-03 -1.8184e-04 -4.0242e-04 7.8419e-04 -1.8184e-04 5.5808e-03 Resolution calculation used 11 neutron events. Covariance matrix: 4.2782e-05 -5.0001e-06 -1.1438e-04 2.2640e-05 -5.0001e-06 8.9830e-05 1.1070e-04 5.8764e-04 -1.1438e-04 1.1070e-04 4.2596e-03 7.0889e-04 2.2640e-05 5.8764e-04 7.0889e-04 4.5954e-03 Resolution matrix: 2.8055e+04 1.4089e+04 7.2874e+02 -2.0523e+03 Resolution calculation used 18 neutron events. Covariance matrix: 2.4820e-05 -4.3899e-06 2.7635e-05 -3.2095e-05 -4.3899e-06 2.4486e-05 -1.3539e-04 1.3146e-04 2.7635e-05 -1.3539e-04 1.4479e-03 -8.4604e-04 Resolution calculation used 13 neutron events. Covariance matrix: 2.0648e-05 -1.0616e-05 -4.3052e-05 -5.5483e-05 -1.0616e-05 5.1937e-05 -3.3218e-05 1.9310e-04 -4.3052e-05 -3.3218e-05 2.3767e-03 -1.6968e-04 -5.5483e-05 1.9310e-04 -1.6968e-04 8.2863e-04 Resolution matrix: 1.4089e+04 7.5627e+04 3.4751e+01 -9.7456e+03 7.2874e+02 3.4751e+01 2.6148e+02 -4.8370e+01 -2.0523e+03 -9.7456e+03 -4.8370e+01 1.4814e+03 Please run "mcresplot reso.dat" for a full analysis. Resolution calculation used 15 neutron events. Covariance matrix: 4.7770e-05 -1.1693e-05 -1.2155e-04 -1.5390e-04 -1.1693e-05 9.8828e-05 3.2207e-05 6.0759e-04 -1.2155e-04 3.2207e-05 1.2259e-03 6.8845e-04 -1.5390e-04 6.0759e-04 6.8845e-04 4.1406e-03 Resolution matrix: Resolution calculation used 16 neutron events. Covariance matrix: 5.7268e-05 -3.9502e-05 -2.6293e-04 -2.2003e-04 -3.9502e-05 9.3408e-05 1.9130e-04 4.4050e-04 -2.6293e-04 1.9130e-04 3.2832e-03 5.1464e-04 Resolution matrix: 2.3163e+04 -6.6044e+03 4.2431e+02 2.6121e+03 -6.6044e+03 1.6818e+05 1.7483e+03 -2.4051e+04 4.2431e+02 1.7483e+03 2.8061e+02 -2.0592e+02 2.6121e+03 -2.4051e+04 -2.0592e+02 3.7404e+03 Please run "mcresplot reso.dat" for a full analysis. -3.2095e-05 1.3146e-04 -8.4604e-04 8.7507e-04 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 Please run "mcresplot reso.dat" for a full analysis. 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 Please run "mcresplot reso.dat" for a full analysis. 3.4202e+04 -3.1280e+04 1.0164e+03 5.6921e+03 -3.1280e+04 2.1346e+05 1.0515e+04 -3.4233e+04 1.0164e+03 1.0515e+04 1.6386e+03 -1.7777e+03 5.6921e+03 -3.4233e+04 -1.7777e+03 5.7720e+03 Please run "mcresplot reso.dat" for a full analysis. -2.2003e-04 4.4050e-04 5.1464e-04 2.5866e-03 Resolution matrix: 4.6061e+04 -1.5687e+04 3.6847e+03 5.8567e+03 -1.5687e+04 7.1962e+04 -3.4260e+03 -1.2908e+04 3.6847e+03 -3.4260e+03 6.7990e+02 7.6162e+02 5.8567e+03 -1.2908e+04 7.6162e+02 2.9316e+03 Please run "mcresplot reso.dat" for a full analysis. Resolution calculation used 16 neutron events. Covariance matrix: 6.9707e-05 -6.0199e-05 -1.5398e-04 -4.1972e-04 -6.0199e-05 9.8881e-05 4.2030e-04 6.2149e-04 -1.5398e-04 4.2030e-04 5.4292e-03 2.9041e-03 -4.1972e-04 6.2149e-04 2.9041e-03 4.1839e-03 Resolution matrix: 4.7521e+04 -1.8887e+04 -1.9736e+03 8.9428e+03 -1.8887e+04 1.6072e+05 1.2822e+03 -2.6659e+04 -1.9736e+03 1.2822e+03 3.7655e+02 -6.4982e+02 8.9428e+03 -2.6659e+04 -6.4982e+02 5.5472e+03 Please run "mcresplot reso.dat" for a full analysis. Detector: resmon_I=0.00804697 resmon_ERR=0.00205349 resmon_N=112 "resmon_covar.dat" Finally [Test_TasReso: 1]. Time: 0 [s] Finally [Test_TasReso: 1]. Time: 0 [s] Finally [Test_TasReso: 1]. Time: 0 [s] Finally [Test_TasReso: 1]. Time: 0 [s] Finally [Test_TasReso: 1]. Time: 0 [s] Finally [Test_TasReso: 1]. Time: 0 [s] Detector: resmon_I=89437.7 resmon_ERR=51183.7 resmon_N=112 "resmon_resol.dat" Finally [Test_TasReso: 1]. Time: 0 [s] INFO: Placing instr file copy Test_TasReso.instr in dataset 1 INFO: Placing generated c-code copy Test_TasReso.c in dataset 1