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 221619)                      :-) GROMACS - gmx mdrun, 2022.4 (-:

Executable:   /home/eoseret/GROMACS/install/icx/bin/gmx_mpi
Data prefix:  /home/eoseret/GROMACS/install/icx
Working dir:  /home/eoseret/GROMACS/DATA/GROMACS_TestCaseA
Command line:
  gmx_mpi mdrun -s ion_channel.tpr -nsteps 10000 -deffnm icx

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: 10000 steps, 25 ps
Changing nstlist from 10 to 80, rlist from 1 to 1.129


Using 1 MPI process
Using 52 OpenMP threads 


NOTE: Cannot set thread affinities on the current platform.
starting mdrun 'Protein'
10000 steps,     25.0 ps.

Writing final coordinates.

               Core t (s)   Wall t (s)        (%)
       Time:     3846.717       73.977     5199.9
                 (ns/day)    (hour/ns)
Performance:       29.201        0.822

GROMACS reminds you: "Computer science is no more about computers than astronomy is about telescopes" (Edsger Dijkstra)


* Info: Process finished (host skylake, process 221619)

Your experiment path is /home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_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_skx_icx_OMP52/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_icx_OMP52/tools/lprof_npsu_run_0  #
##################################################################################################################################
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