options

Executable Output


* Info: Selecting the 'perf-low-ppn' engine for node ip-172-31-47-199

* Info: "ref-cycles" not supported on ip-172-31-47-199: fallback to "cpu-clock"
* Info: Process launched (host ip-172-31-47-199, process 3163)                      :-) GROMACS - gmx mdrun, 2022.4 (-:

Executable:   /home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/binaries/gmx_mpi
Data prefix:  /usr/local/gromacs
Working dir:  /home/eoseret/GROMACS/DATA/GROMACS_TestCaseA
Command line:
  gmx_mpi mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm gcc


Back Off! I just backed up gcc.log to ./#gcc.log.2#
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 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up gcc.edr to ./#gcc.edr.2#
starting mdrun 'Protein'
10000 steps,     25.0 ps.

Writing final coordinates.

Back Off! I just backed up gcc.gro to ./#gcc.gro.2#

               Core t (s)   Wall t (s)        (%)
       Time:     2494.897       47.979     5200.0
                 (ns/day)    (hour/ns)
Performance:       45.024        0.533

GROMACS reminds you: "Bad As This Shit Is, This Shit Ain't As Bad As You Think It Is." (Jackie Brown)


* Info: Process finished (host ip-172-31-47-199, process 3163)

Your experiment path is /home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0

To display your profiling results:
###########################################################################################################################################
#    LEVEL    |     REPORT     |                                                 COMMAND                                                  #
###########################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/home/eoseret/GROMACS/DATA/OV_dirs/OV1_G3E_gcc_SVE_OMP52/tools/lprof_npsu_run_0  #
###########################################################################################################################################

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