Compile LAMMPS on GPU on Sherlock: Difference between revisions

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===Download LAMMPS===
===Download LAMMPS===

Go to the LAMMPS website (http://lammps.sandia.gov/download.html) and download the most recent stable version of the code.

Put it in your Codes directory and unzip it
tar -xvf lammps-stable.tar.gz


===Compile LAMMPS with gpu===
===Compile LAMMPS with gpu===

Revision as of 22:20, 22 July 2015

Compile LAMMPS on GPU on Sherlock

Mikael Jorda

Created july 2015


This tutorial explains how to install, compile and use LAMMPS with GPUs on the cluster Sherlock


Installing and compiling LAMMPS on sherlock

In order to use LAMMPS on GPU, you must compile it with the cuda library. The process is a little bit different from the usual compilation of LAMMPS.

Download LAMMPS

Go to the LAMMPS website (http://lammps.sandia.gov/download.html) and download the most recent stable version of the code.

Put it in your Codes directory and unzip it

tar -xvf lammps-stable.tar.gz

Compile LAMMPS with gpu

Using the GPU for a LAMMPS run

Modify the input script

Request GPUs on Sherlock