INFO: Using directory: "1" 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/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/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 [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 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_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_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 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 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 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_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: 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_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' 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' 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_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' 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] *** TRACE end *** Save [Test_Absorption] Detector: emon_I=8.21262e-12 emon_ERR=5.8717e-15 emon_N=5.20181e+06 "emon.dat" Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Detector: psd_I=8.67712e-09 psd_ERR=1.85437e-12 psd_N=4.39458e+07 "psd.dat" Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 1]. Time: 3 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/Test_Absorption/Test_Absorption.instr in dataset 1