INFO: Using directory: "4" 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 5 [s] % 203 Trace ETA 2 [s] % 503 Trace ETA 1 [s] % 903 Trace ETA 1 [s] % 1003 Trace ETA 2 [s] % 403 Trace ETA 10 [s] % 103 Trace ETA 1 [s] % 703 Trace ETA 0 [s] % 1303 Trace ETA 0 [s] % 1403 Trace ETA 0 [s] % 1103 Trace ETA 1 [s] % 603 Trace ETA 3 [s] % 303 Trace ETA 0 [s] % 1203 Trace ETA 5.15 [min] % 3 Trace ETA 0 [s] % 1503 Trace ETA 1 [s] % 803 10 1310 410 1210 610 910 210 1410 1110 1510 1010 110 310 710 510 810 20 1320 420 1220 620 1420 1520 220 1120 120 1020 920 320 720 520 820 1330 30 430 630 1230 1530 230 1430 1130 1030 930 130 330 730 530 830 1340 40 440 640 1240 1040 1540 1440 240 1140 940 140 740 340 540 840 1350 50 650 450 1250 1050 1550 1450 250 150 1150 950 350 750 550 850 1360 460 60 660 1260 1060 1460 160 1160 260 1560 960 360 760 560 860 1370 70 470 670 1270 1470 1070 1170 170 270 1570 970 370 770 570 870 1380 80 680 480 1280 1480 1080 280 1580 180 1180 980 380 780 580 880 1390 90 690 490 1290 290 1090 1490 1590 1190 190 990 390 790 590 890 *** TRACE end *** Save [Test_SAXS] Detector: PSDMonitor_I=9.93342e-15 PSDMonitor_ERR=2.21314e-17 PSDMonitor_N=1.47259e+07 "PSDMonitor.dat" Detector: QMonitor_I=4.24302e-10 QMonitor_ERR=1.55438e-12 QMonitor_N=2.27719e+07 "RDetectror.dat" Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Detector: QMonitor_q_I=1.72437e-09 QMonitor_q_ERR=6.31968e-12 QMonitor_q_N=2.27719e+07 "QDetector.dat" Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] Finally [Test_SAXS: 4]. Time: 5.1 [min] INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/Test_SAXS/Test_SAXS.instr in dataset 4