loading system configuration loading override configuration from /home/nexmap/pkwi/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/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/2023-04-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe_bcc229_lt13deg.dat' (Table_Read_Offset) 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 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 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 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 ('NULL') nor defined sigma_inc! *** TRACE end *** Save [Test_PowderN] Detector: Sph_mon_I=7.85338e-15 Sph_mon_ERR=1.30701e-17 Sph_mon_N=4.44948e+06 "Sphere.dat" Detector: detector2_I=2.37768e-16 detector2_ERR=2.72899e-18 detector2_N=8254 "psd2.dat" Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Detector: det_angle_I=1.79924e-16 det_angle_ERR=2.01473e-18 det_angle_N=85483 "det_angle_1680326004.th" Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] Finally [Test_PowderN: 1]. Time: 1 [s] INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-04-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr in dataset 1