loading system configuration loading override configuration from /home/nexmap/pkwi/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace-1.x_CPU_MPICC/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./Test_PowderN.c INFO: Using existing binary: ./Test_PowderN.out WARNING: Ignoring invalid parameter: "Test_PowderN.instr" INFO: === Simulation 'Test_PowderN' (/home/nexmap/pkwi/xTESTS/2022-08-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [Test_PowderN] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe_bcc229_lt13deg.dat' (Table_Read_Offset) [Test_PowderN] Initialize WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability [Test_PowderN] Initialize WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability [Test_PowderN] Initialize WARNING(Pow): p_inc=0, adjusting to 0.01, to avoid algorithm instability Table from file 'Fe_bcc229_lt13deg.dat' (block 1) is 36 x 7 (x=2:7), constant step. interpolation: linear PowderN: Pow: Reading 36 rows from Fe_bcc229_lt13deg.dat PowderN: Pow: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. PowderN: Pow: Read 36 reflections from file 'Fe_bcc229_lt13deg.dat' PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('') nor defined sigma_inc! PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1657 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1762 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1755 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1730 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1762 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1730 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1684 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1709 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1742 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1714 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1717 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Save [Test_PowderN] Detector: Sph_mon_I=7.87145e-15 Sph_mon_ERR=1.30824e-17 Sph_mon_N=4.45076e+06 "Sphere.dat" Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1703 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1668 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: detector2_I=2.41275e-16 detector2_ERR=2.7509e-18 detector2_N=8360 "psd2.dat" Finally [Test_PowderN: 1]. Time: 1 [s] Warning: 1678 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] Detector: det_angle_I=1.77075e-16 det_angle_ERR=1.9994e-18 det_angle_N=84407 "det_angle_1659327377.th" Warning: 1684 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 1]. Time: 1 [s] PowderN: Pow: Info: you may highly improve the computation efficiency by using SPLIT 36 COMPONENT Pow=PowderN(...) in the instrument description /home/nexmap/pkwi/xTESTS/2022-08-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr. Warning: 1694 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2022-08-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr in dataset 1