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LJ and Rhodo input files can be downloaded here.

Tasks and Submissions

Note: You need to run this on both clusters 4 CPU nodes, or 4 GPUs. and to supply two results, one per cluster.

1. Run LAMMPS with the given inputs. On both Niagara and NSCC clusters, you can use up to 4 nodes or 4 GPUs for this run. Submit the results to OneDrive team folder. Change the tunables parameters and see what gives you the best performance.

2. Run IPM LAMMPS profile on one of the clusters on 4 nodes, what are the main MPI calls used. submit the profile results in PDF format.

3. Visualize the input files. Generate a video or image out of the run.

4. For teams with twitter account, tweet your video or image, tagged with your team name/university with the hashtags : #ISC21 #ISC21_SCC #LAMMPS

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