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/2024-07-01/mcxtrace-3.x-dev_Linux/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 (16 MPI processes) 5.01667 [min] 3 % 10 % 20 % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** 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: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [min] Finally [Test_SAXS: 4]. Time: 5.2 [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: 5.2 [min] INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2024-07-01/mcxtrace-3.x-dev_Linux/Test_SAXS/Test_SAXS.instr in dataset 4