options

Executable Output


* Info: Selecting the 'perf-low-ppn' engine for node inti6226

* Info: "ref-cycles" not supported on inti6226: fallback to "cpu-clock"
* Warning: Found no event able to derive walltime: prepending cpu-clock
* Info: Process launched (host inti6226, process 305965)                      :-) GROMACS - gmx mdrun, 2023.1 (-:

Executable:   /ccc/work/cont001/ocre/oserete/gromacs-2023.1-install-icx/bin/gmx
Data prefix:  /ccc/work/cont001/ocre/oserete/gromacs-2023.1-install-icx
Working dir:  /ccc/work/cont001/ocre/oserete/GROMACS_DATA
Command line:
  gmx mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 10000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.29#
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: 10000 steps, 25 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 128 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.29#
starting mdrun 'Protein'
10000 steps,     25.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.27#

               Core t (s)   Wall t (s)        (%)
       Time:     8102.571       63.302    12799.9
                 (ns/day)    (hour/ns)
Performance:       34.126        0.703

GROMACS reminds you: "Being Great is Not So Good" (Red Hot Chili Peppers)


* Info: Process finished (host inti6226, process 305965)
* Warning: Collected empty callchains for 66.9% of 1st-event samples

* Info: Callchains info will be incomplete
* Info: Try to recompile your application with -fno-omit-frame-pointer or to rerun with btm=stack
* Info: Dumping samples (host inti6226, process 305965)
* Info: Dumping source info for callchain nodes (host inti6226, process 305965)
* Info: Building/writing metadata (host inti6226)
* Info: Finished collect step (host inti6226, process 305965)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0

To display your profiling results:
####################################################################################################################################################
#    LEVEL    |     REPORT     |                                                      COMMAND                                                      #
####################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WP_icx_128T_milan/tools/lprof_npsu_run_0  #
####################################################################################################################################################

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