* 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 #
################################################################################################################################################################
