options

Executable Output


* Info: Selecting the 'perf-low-ppn' engine for node skylake

* Warning: Found no event able to derive walltime: prepending ref-cycles
* Info: Process launched (host skylake, process 206883)                      :-) GROMACS - gmx mdrun, 2022.4 (-:

Executable:   /home/eoseret/GROMACS/build/icc/bin/gmx_mpi
Data prefix:  /home/eoseret/GROMACS/gromacs-2022.4 (source tree)
Working dir:  /home/eoseret/GROMACS/DATA/GROMACS_TestCaseA
Command line:
  gmx_mpi mdrun -s ion_channel.tpr -nsteps 2000 -deffnm icc


Back Off! I just backed up icc.log to ./#icc.log.8#
Reading file ion_channel.tpr, VERSION 2020.3 (single precision)
Note: file tpx version 119, software tpx version 127
Overriding nsteps with value passed on the command line: 2000 steps, 5 ps
Changing nstlist from 10 to 80, rlist from 1 to 1.129


Using 1 MPI process
Using 52 OpenMP threads 


Back Off! I just backed up icc.edr to ./#icc.edr.8#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icc.gro to ./#icc.gro.8#

               Core t (s)   Wall t (s)        (%)
       Time:      602.990       11.604     5196.3
                 (ns/day)    (hour/ns)
Performance:       37.247        0.644

GROMACS reminds you: "Shake Yourself" (YES)


* Info: Process finished (host skylake, process 206883)

Your experiment path is /home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0

To display your profiling results:
##############################################################################################################################
#    LEVEL    |     REPORT     |                                           COMMAND                                           #
##############################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/home/eoseret/GROMACS/OV_dirs/OV1_icc_OMP52/tools/lprof_npsu_run_0  #
##############################################################################################################################
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