INFO: Using directory: "4" INFO: Using existing c-file: ./Test_Absorption.c INFO: Using existing binary: ./Test_Absorption.out WARNING: Ignoring invalid parameter: "Test_Absorption.instr" INFO: === Simulation 'Test_Absorption' (/home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/Test_Absorption/Test_Absorption.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Mn.txt' (Table_Read_Offset) [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done Reusing input file 'Mn.txt' (Table_Read_Offset) INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt Reusing input file 'Mn.txt' (Table_Read_Offset) Loading geometry file (OFF/PLY): cube.off Number of vertices: 8 Number of polygons: 6 Warning: Aspect ratio of the geometry cube.off was modified. If you want to keep the original proportions, specifiy only one of the dimensions. Bounding box dimensions for geometry cube.off: Length=0.001000 (0.100%) Width= 0.001000 (0.100%) Depth= 0.000100 (0.010%) sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan4: Material Mn mass fractions: | 1e+02 %: Z= 25 Mn 54.9 [g/mol] 7.44 [g/cm3] sample_scan4: Material Mn M=54.94 [g/mol] density=7.44 [g/cm3] rho=0.0815521 [at/Angs-3] sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. Warning: sample_scan2: Invalid inner volume specification. Ignoring. sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' Trace ETA (16 MPI processes) 27 [s] % 40 % 41 % 42 % 43 % 44 % 45 % 46 % 47 % 48 % 49 % 50 % 51 % 52 % 53 % 54 % 55 % 56 % 57 % 58 % 59 % 60 % 61 % 62 % 63 % 64 % 65 % 66 % 67 % 68 % 69 % 70 % 71 % 72 % 73 % 74 % 75 % 76 % 77 % 78 % 79 % 80 % 81 % 82 % 83 % 84 % 85 % 86 % 87 % 88 % 89 % 90 % 91 % 92 % 93 % 94 % 95 % 96 % 97 % 98 % 99 % *** TRACE end *** Save [Test_Absorption] Detector: emon_I=5.74475e-12 emon_ERR=1.32783e-14 emon_N=1.01185e+07 "emon.dat" Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09479e-15 Compton=0 Rayleigh=5.22181e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09467e-15 Compton=0 Rayleigh=1.07098e-22 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09603e-15 Compton=0 Rayleigh=2.63975e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.095e-15 Compton=0 Rayleigh=2.37261e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09608e-15 Compton=0 Rayleigh=5.10511e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09552e-15 Compton=0 Rayleigh=0 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.0964e-15 Compton=0 Rayleigh=0 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09527e-15 Compton=0 Rayleigh=0 Detector: psd_I=8.66653e-09 psd_ERR=1.85455e-12 psd_N=4.14892e+07 "psd.dat" Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09539e-15 Compton=0 Rayleigh=0 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09673e-15 Compton=0 Rayleigh=8.68816e-22 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09626e-15 Compton=0 Rayleigh=5.51796e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09664e-15 Compton=0 Rayleigh=5.40655e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09541e-15 Compton=0 Rayleigh=0 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09664e-15 Compton=0 Rayleigh=5.71748e-23 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09529e-15 Compton=0 Rayleigh=0 Finally [Test_Absorption: 4]. Time: 27 [s] sample_scan4: scattered intensity: fluo=1.09542e-15 Compton=0 Rayleigh=0 INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/Test_Absorption/Test_Absorption.instr in dataset 4