* Info: Selecting the 'perf-low-ppn' engine for node inti6206
* Info: "ref-cycles" not supported on inti6206: fallback to "cpu-clock"
* Info: Process launched (host inti6206, process 2899797) :-) GROMACS - gmx mdrun, 2023.1 (-:
Executable: /ccc/work/cont001/ocre/oserete/gromacs-2023.1-install-icc-2/bin/gmx
Data prefix: /ccc/work/cont001/ocre/oserete/gromacs-2023.1-install-icc-2
Working dir: /ccc/work/cont001/ocre/oserete/GROMACS_DATA
Command line:
gmx mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 1000 -pin on -deffnm icc-2
Back Off! I just backed up icc-2.log to ./#icc-2.log.22#
Reading file ion_channel.tpr, VERSION 2020.3 (single precision)
Note: file tpx version 119, software tpx version 129
Overriding nsteps with value passed on the command line: 1000 steps, 2.5 ps
Changing nstlist from 10 to 50, rlist from 1 to 1.095
Update groups can not be used for this system because there are three or more consecutively coupled constraints
Using 1 MPI thread
Using 1 OpenMP thread
Back Off! I just backed up icc-2.edr to ./#icc-2.edr.22#
starting mdrun 'Protein'
1000 steps, 2.5 ps.
Writing final coordinates.
Back Off! I just backed up icc-2.gro to ./#icc-2.gro.14#
Core t (s) Wall t (s) (%)
Time: 198.688 198.689 100.0
(ns/day) (hour/ns)
Performance: 1.088 22.055
GROMACS reminds you: "I cannot think of a single one, not even intelligence." (Enrico Fermi, when asked what characteristics physics Nobel laureates had in common.)
* Info: Process finished (host inti6206, process 2899797)
* Info: Dumping samples (host inti6206, process 2899797)
* Info: Dumping source info for callchain nodes (host inti6206, process 2899797)
* Info: Building/writing metadata (host inti6206)
* Info: Finished collect step (host inti6206, process 2899797)
Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
#########################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV3_GROMACS_AMD_seq_1000it/tools/lprof_npsu_run_0 #
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