INFO: Using directory: "1" 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 end *** Save [Test_SAXS] Detector: PSDMonitor_I=2.86957e-14 PSDMonitor_ERR=8.51029e-17 PSDMonitor_N=1.47259e+07 "PSDMonitor.dat" Detector: QMonitor_I=1.51366e-09 QMonitor_ERR=6.50087e-12 QMonitor_N=2.27719e+07 "RDetectror.dat" Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Detector: QMonitor_q_I=6.15221e-09 QMonitor_q_ERR=2.64315e-11 QMonitor_q_N=2.27719e+07 "QDetector.dat" Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [s] Finally [Test_SAXS: 1]. Time: 3 [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 1