* Info: Selecting the 'perf-low-ppn' engine for node skylake
[0m
* Warning: Found no event able to derive walltime: prepending ref-cycles
* Info: Process launched (host skylake, process 337347)[0m :-) GROMACS - gmx mdrun, 2022.4 (-:
Executable: /home/eoseret/GROMACS/install/gplusplus/bin/gmx_mpi
Data prefix: /home/eoseret/GROMACS/install/gplusplus
Working dir: /home/eoseret/GROMACS/DATA/GROMACS_TestCaseA
Command line:
gmx_mpi mdrun -s ion_channel.tpr -nsteps 2000 -pin on -deffnm g++
Back Off! I just backed up g++.log to ./#g++.log.19#
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 1 OpenMP thread
Overriding thread affinity set outside gmx mdrun
NOTE: Cannot set thread affinities on the current platform.
Back Off! I just backed up g++.edr to ./#g++.edr.7#
starting mdrun 'Protein'
2000 steps, 5.0 ps.
Writing final coordinates.
Back Off! I just backed up g++.gro to ./#g++.gro.2#
Core t (s) Wall t (s) (%)
Time: 281.417 281.419 100.0
(ns/day) (hour/ns)
Performance: 1.536 15.627
GROMACS reminds you: "Does college pay? They do if you are a good open-field runner." (Will Rogers)
* Info: Process finished (host skylake, process 337347)[0m
Your experiment path is /home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/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_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/eoseret/GROMACS/OV_dirs/OV1_skx_gplusplus_OMP1/tools/lprof_npsu_run_0 #
#######################################################################################################################################
