loading system configuration
loading override configuration from /users/willend/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_DUAL_A100_DMSC/mccode_config.json
INFO: Using directory: "6"
INFO: Using existing c-file: ./Test_SAXS.c
INFO: Using existing binary: ./Test_SAXS.out
INFO: ===
--------------------------------------------------------------------------
WARNING: No preset parameters were found for the device that Open MPI
detected:

  Local host:            r6n22
  Device name:           mlx5_0
  Device vendor ID:      0x02c9
  Device vendor part ID: 4123

Default device parameters will be used, which may result in lower
performance.  You can edit any of the files specified by the
btl_openib_device_param_files MCA parameter to set values for your
device.

NOTE: You can turn off this warning by setting the MCA parameter
      btl_openib_warn_no_device_params_found to 0.
--------------------------------------------------------------------------
Simulation 'Test_SAXS' (/users/willend/xTESTS/2023-07-01/McXtrace_DUAL_A100_DMSC_5e7/Test_SAXS/Test_SAXS.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1).
Have found 2 GPU devices on rank 0. Will use device 0.
Have found 2 GPU devices on rank 1. Will use device 1.
[Test_SAXS] Initialize
[Test_SAXS] Initialize
SAXSPDB: Sample7: Scattering from 3v03.pdb with 1160 residues
[r6n22.esss.dk:1307143] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:1307143] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
SAXSPDBFast: Sample11: Initializing scattering from 6lyz.pdb with 129 residues on 2000 Q-values
SAXSPDBFast: Sample11: 6lyz.pdb initialization I(q) done

NOTE: CPU COMPONENT grammar activated:
 1) "FUNNEL" raytrace algorithm enabled.
 2) Any SPLIT's are dynamically allocated based on available buffer size. 



Save [Test_SAXS]
Detector: PSDMonitor_I=1.14444e-14 PSDMonitor_ERR=8.53004e-16 PSDMonitor_N=3009 "PSDMonitor.dat"
Detector: QMonitor_I=2.62765e-10 QMonitor_ERR=5.51644e-11 QMonitor_N=4554 "RDetectror.dat"
Detector: QMonitor_I=1.06375e-09 QMonitor_ERR=2.22553e-10 QMonitor_N=4554 "QDetector.dat"

Finally [Test_SAXS: 6]. Time: 14 [s] 

Finally [Test_SAXS: 6]. Time: 14 [s] 
INFO: Placing instr file copy /users/willend/xTESTS/2023-07-01/McXtrace_DUAL_A100_DMSC_5e7/Test_SAXS/Test_SAXS.instr in dataset 6