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Revision as of 14:22, 25 October 2017

Note
This page is a template. It contains some standardized, often used text, which can be transcluded inside other pages.

As this template is widely used in our wiki, it may be protected in which case only staff members can change it. Use the discussion page to propose enhancements or fixes, or to voice your opinion.

Use this template to specify SLURM script for LAMMPS.

Parameters

Parameter name Required? Default value Description
filename No torque-lmp.sh File name
lang No text Language of the contents, used for syntax highlighting
title No (n/a) Additional title to display in the box header
email No EmailAddress Email address to send updates
jobname No Jobname Name to job
inputfile No mysimulation Name of input file

Usage

See the template's testcases:

No parameter
Wiki code {{HPC-slurm-lmp}}

Main version
FILE submit.sh
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
##SBATCH --email-user=EmailAddress
##SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=Jobname
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in mysimulation
Sandbox version Template:HPC-slurm-lmp/sandbox
Parameter: lang=bash
Wiki code {{HPC-slurm-lmp|lang=bash}}

Main version
FILE submit.sh
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
##SBATCH --email-user=EmailAddress
##SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=Jobname
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in mysimulation
Sandbox version Template:HPC-slurm-lmp/sandbox
Parameters: lang=bash, filename={{HPC-Examples-Dir|magnolia}}/lammps/submit.sh
Wiki code {{HPC-slurm-lmp|lang=bash|filename={{HPC-Examples-Dir|magnolia}}/lammps/submit.sh}}

Main version
FILE /home/user/examples/YYYYMMDD-HHMMSS/lammps/submit.sh
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
##SBATCH --email-user=EmailAddress
##SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=Jobname
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in mysimulation
Sandbox version Template:HPC-slurm-lmp/sandbox
Parameter: title=Here is the file
Wiki code {{HPC-slurm-lmp|title=Here is the file}}

Main version
FILE submit.shHere is the file
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
##SBATCH --email-user=EmailAddress
##SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=Jobname
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in mysimulation
Sandbox version Template:HPC-slurm-lmp/sandbox
Parameters: lang=bash, title=Here is the file
Wiki code {{HPC-slurm-lmp|lang=bash|title=Here is the file}}

Main version
FILE submit.shHere is the file
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
##SBATCH --email-user=EmailAddress
##SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=Jobname
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in mysimulation
Sandbox version Template:HPC-slurm-lmp/sandbox
Parameter: inputfile=ellipse.gayberne
Wiki code {{HPC-slurm-lmp|inputfile=ellipse.gayberne}}

Main version
FILE submit.sh
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
##SBATCH --email-user=EmailAddress
##SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=Jobname
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in ellipse.gayberne
Sandbox version Template:HPC-slurm-lmp/sandbox
Parameters: email=me@example.com, jobname=ellipse-lmp, inputfile=ellipse.gayberne
Wiki code {{HPC-slurm-lmp|email=me@example.com|jobname=ellipse-lmp|inputfile=ellipse.gayberne}}

Main version
FILE submit.sh
#SBATCH --time=00:10:00
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=20
#SBATCH --email-user=me@example.com
#SBATCH --email-type=End
#SBATCH --partition=nodes
#SBATCH --job-name=ellipse-lmp
#SBATCH --output=myoutput-%j.txt

module load ffmpeg
module load openmpi-2.0
module load fftw
module load hdf5
module load netcdf
module load lammps/20170811

mpirun lmp -in ellipse.gayberne
Sandbox version Template:HPC-slurm-lmp/sandbox
Retrieved from "http://magnolia.usm.edu/index.php?title=Template:HPC-slurm-lmp/doc&oldid=854"