options

Executable Output


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3252453)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.9#
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: 2000 steps, 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 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.9#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.8#

               Core t (s)   Wall t (s)        (%)
       Time:      261.537      261.537      100.0
                 (ns/day)    (hour/ns)
Performance:        1.653       14.523

GROMACS reminds you: "Please implement proper hep writing" (GROMACS)


* Info: Process finished (host inti6200, process 3252453)
* Warning: Collected empty callchains for 11.0% 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 inti6200, process 3252453)
* Info: Dumping source info for callchain nodes (host inti6200, process 3252453)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3252453)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/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_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_0  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3253015)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.10#
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: 2000 steps, 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 2 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.10#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.9#

               Core t (s)   Wall t (s)        (%)
       Time:      279.770      139.886      200.0
                 (ns/day)    (hour/ns)
Performance:        3.090        7.768

GROMACS reminds you: "Garbage Collecting..." (GNU Emacs)


* Info: Process finished (host inti6200, process 3253015)
* Warning: Collected empty callchains for 11.5% 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 inti6200, process 3253015)
* Info: Dumping source info for callchain nodes (host inti6200, process 3253015)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3253015)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_1  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3253422)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.11#
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: 2000 steps, 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 4 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.11#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.10#

               Core t (s)   Wall t (s)        (%)
       Time:      292.427       73.107      400.0
                 (ns/day)    (hour/ns)
Performance:        5.912        4.059

GROMACS reminds you: "May the Force Be With You" (Star Wars)


* Info: Process finished (host inti6200, process 3253422)
* Warning: Collected empty callchains for 14.5% 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 inti6200, process 3253422)
* Info: Dumping source info for callchain nodes (host inti6200, process 3253422)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3253422)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_2  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3253819)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.12#
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: 2000 steps, 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 8 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.12#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.11#

               Core t (s)   Wall t (s)        (%)
       Time:      314.130       39.267      800.0
                 (ns/day)    (hour/ns)
Performance:       11.007        2.180

GROMACS reminds you: "A professor is one who talks in someone else's sleep." (W.H. Auden)


* Info: Process finished (host inti6200, process 3253819)
* Warning: Collected empty callchains for 18.7% 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 inti6200, process 3253819)
* Info: Dumping source info for callchain nodes (host inti6200, process 3253819)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3253819)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_3  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3254151)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.13#
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: 2000 steps, 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 16 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.13#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.12#

               Core t (s)   Wall t (s)        (%)
       Time:      353.150       22.073     1599.9
                 (ns/day)    (hour/ns)
Performance:       19.582        1.226

GROMACS reminds you: "Almost without exception, the talented women I have known have believed they had less ability than they actually had. And almost without exception, the talented men I have known believed they had more." (Gregory Petsko)


* Info: Process finished (host inti6200, process 3254151)
* Warning: Collected empty callchains for 24.4% 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 inti6200, process 3254151)
* Info: Dumping source info for callchain nodes (host inti6200, process 3254151)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3254151)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_4  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3254575)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.14#
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: 2000 steps, 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 32 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.14#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.13#

               Core t (s)   Wall t (s)        (%)
       Time:      414.218       12.945     3199.8
                 (ns/day)    (hour/ns)
Performance:       33.389        0.719

GROMACS reminds you: "Suzy is a headbanger, her mother is a geek" (The Ramones)


* Info: Process finished (host inti6200, process 3254575)
* Warning: Collected empty callchains for 30.6% 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 inti6200, process 3254575)
* Info: Dumping source info for callchain nodes (host inti6200, process 3254575)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3254575)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_5  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3254932)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.15#
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: 2000 steps, 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 64 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.15#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.14#

               Core t (s)   Wall t (s)        (%)
       Time:      616.370        9.631     6399.6
                 (ns/day)    (hour/ns)
Performance:       44.876        0.535

GROMACS reminds you: "Consistently separating words by spaces became a general custom about the tenth century A.D., and lasted until about 1957, when FORTRAN abandoned the practice." (Sun FORTRAN Reference Manual)


* Info: Process finished (host inti6200, process 3254932)
* Warning: Collected empty callchains for 44.5% 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 inti6200, process 3254932)
* Info: Dumping source info for callchain nodes (host inti6200, process 3254932)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3254932)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_6  #
################################################################################################################################################################


* Info: Selecting the 'perf-low-ppn' engine for node inti6200

* Info: "ref-cycles" not supported on inti6200: fallback to "cpu-clock"
* Info: Process launched (host inti6200, process 3255315)                      :-) 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 2000 -pin on -deffnm icx


Back Off! I just backed up icx.log to ./#icx.log.16#
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: 2000 steps, 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 128 OpenMP threads 


Overriding thread affinity set outside gmx mdrun

Back Off! I just backed up icx.edr to ./#icx.edr.16#
starting mdrun 'Protein'
2000 steps,      5.0 ps.

Writing final coordinates.

Back Off! I just backed up icx.gro to ./#icx.gro.15#

NOTE: 10 % of the run time was spent in domain decomposition,
      3 % of the run time was spent in pair search,
      you might want to increase nstlist (this has no effect on accuracy)

               Core t (s)   Wall t (s)        (%)
       Time:     1620.766       12.663    12799.2
                 (ns/day)    (hour/ns)
Performance:       34.132        0.703

GROMACS reminds you: "Mathematics is like love; a simple idea, but it can get complicated." (Anonymous)


* Info: Process finished (host inti6200, process 3255315)
* Warning: Collected empty callchains for 62.6% 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 inti6200, process 3255315)
* Info: Dumping source info for callchain nodes (host inti6200, process 3255315)
* Info: Building/writing metadata (host inti6200)
* Info: Finished collect step (host inti6200, process 3255315)

Your experiment path is /ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7

To display your profiling results:
################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                            COMMAND                                                            #
################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/ccc/work/cont001/ocre/oserete/GROMACS_DATA/OV1_WS_GROMACS_icx_AMD_2000_steps/tools/lprof_npsu_run_7  #
################################################################################################################################################################

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