INFO: Using directory: "5" 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] % 1102 Trace ETA 0 [s] % 1502 Trace ETA 0 [s] % 1402 Trace ETA 5 [s] % 202 Trace ETA 2 [s] % 402 Trace ETA 0 [s] % 1302 Trace ETA 3 [s] % 302 Trace ETA 1 [s] % 902 Trace ETA 1 [s] % 802 Trace ETA 1 [s] % 1002 Trace ETA 6.81667 [min] % 2 Trace ETA 1 [s] % 702 Trace ETA 10 [s] % 102 Trace ETA 2 [s] % 502 Trace ETA 1 [s] % 602 Trace ETA 0 [s] % 1202 1510 10 1310 1210 1010 710 610 910 410 310 1110 510 810 210 1410 110 1520 20 1320 1020 1220 720 620 320 420 820 520 920 1120 220 1420 120 1530 1330 30 1030 1230 630 730 430 530 830 330 930 1130 230 1430 130 1540 1340 40 1040 1240 640 740 540 440 840 340 940 1140 240 1440 140 1550 1350 50 1050 650 1250 750 550 850 350 450 950 1150 250 1450 150 1560 1360 1060 60 1260 660 760 560 860 460 360 960 1160 260 1460 160 1570 1370 70 1070 1270 670 770 570 870 470 370 970 1170 270 1470 170 1580 1380 80 1080 1280 680 780 880 580 480 380 980 1180 280 1480 180 1590 1390 90 1090 1290 690 790 890 590 490 390 990 1190 290 1490 190 *** TRACE end *** Save [Test_SAXS] Detector: PSDMonitor_I=1.14497e-10 PSDMonitor_ERR=1.45573e-13 PSDMonitor_N=1.47259e+07 "PSDMonitor.dat" Detector: QMonitor_I=2.22264e-06 QMonitor_ERR=3.53684e-09 QMonitor_N=2.27719e+07 "RDetectror.dat" Finally [Test_SAXS: 5]. Time: 6.58333 [min] Detector: QMonitor_q_I=9.0253e-06 QMonitor_q_ERR=1.43695e-08 QMonitor_q_N=2.27719e+07 "QDetector.dat" Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [min] Finally [Test_SAXS: 5]. Time: 6.58333 [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 5