Compile LAMMPS on GPU on Sherlock

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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

Compile LAMMPS with gpu

Using the GPU for a LAMMPS run

Modify the input script

Request GPUs on Sherlock

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