INFO: Using directory: "3" INFO: Using existing c-file: ./Test_SAXS.c INFO: Using existing binary: ./Test_SAXS.out INFO: === Simulation 'Test_SAXS' (/home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/Test_SAXS/Test_SAXS.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize [Test_SAXS] Initialize SAXSPDB: Sample7: Scattering from 3v03.pdb with 1160 residues SAXSPDBFast: Sample11: Initializing scattering from 6lyz.pdb with 129 residues on 2000 Q-values SAXSPDBFast: Sample11: 6lyz.pdb initialization I(q) done Trace ETA 0 [s] % 1182 Trace ETA 0 [s] % 1482 Trace ETA 0 [s] % 1582 Trace ETA 6 [s] % 182 Trace ETA 1 [s] % 1082 Trace ETA 1 [s] % 981 Trace ETA 3 [s] % 282 Trace ETA 1 [s] % 882 Trace ETA 1 [s] % 780 Trace ETA 1 [s] % 582 Trace ETA 0 [s] % 1282 Trace ETA 13 [s] % 82 Trace ETA 2 [s] % 482 Trace ETA 1 [s] % 682 Trace ETA 2 [s] % 382 Trace ETA 0 [s] % 1382 1090 1390 1490 690 390 890 190 290 1190 90 490 1290 1590 590 990 790 *** TRACE end *** Save [Test_SAXS] Detector: PSDMonitor_I=2.62937e-14 PSDMonitor_ERR=7.6241e-17 PSDMonitor_N=1.47259e+07 "PSDMonitor.dat" Detector: QMonitor_I=1.36972e-09 QMonitor_ERR=5.89924e-12 QMonitor_N=2.27719e+07 "RDetectror.dat" Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Detector: QMonitor_q_I=5.56715e-09 QMonitor_q_ERR=2.39856e-11 QMonitor_q_N=2.27719e+07 "QDetector.dat" Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] Finally [Test_SAXS: 3]. Time: 13 [s] INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/Test_SAXS/Test_SAXS.instr in dataset 3