loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json INFO: Using directory: "7" INFO: Using existing c-file: ./Test_SAXS.c INFO: Using existing binary: ./Test_SAXS.out INFO: === INFO: Using system default number of mpirun -np processes Simulation 'Test_SAXS' (/zhome/89/0/38697/xTESTS/2023-09-01/McXtrace_CPU_MPICC_KISS_5e7/Test_SAXS/Test_SAXS.instr): running on 10 nodes (master is 'n-62-29-12', 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 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=1.22071e-14 PSDMonitor_ERR=1.00166e-15 PSDMonitor_N=2958 "PSDMonitor.dat" Detector: QMonitor_I=3.37167e-10 QMonitor_ERR=8.50356e-11 QMonitor_N=4572 "RDetectror.dat" Finally [Test_SAXS: 7]. Time: 4 [s] Finally [Test_SAXS: 7]. Time: 4 [s] Finally [Test_SAXS: 7]. Time: 4 [s] Finally [Test_SAXS: 7]. Time: 5 [s] Finally [Test_SAXS: 7]. Time: 5 [s] Finally [Test_SAXS: 7]. Time: 5 [s] Finally [Test_SAXS: 7]. Time: 5 [s] Finally [Test_SAXS: 7]. Time: 5 [s] Finally [Test_SAXS: 7]. Time: 5 [s] Detector: QMonitor_q_I=1.36244e-09 QMonitor_q_ERR=3.39963e-10 QMonitor_q_N=4572 "QDetector.dat" Finally [Test_SAXS: 7]. Time: 4 [s] INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2023-09-01/McXtrace_CPU_MPICC_KISS_5e7/Test_SAXS/Test_SAXS.instr in dataset 7