This topic provides a quick start overview to help you get started with Elastic High Performance Computing (E-HPC).
In this topic, a cluster in which GROMACS is installed is created and used to simulate water molecules. The following flowchart shows the procedure to use E-HPC.
A cluster provides computing resources for later job submission, debugging, running, and result checking. For example, you can install GROMACS, select PBS as the scheduler, and select ecs.gn5-c4g1.xlarge compute nodes when you create a cluster.
You must create a user in advance to indicate your identity when you submit jobs in the cluster. After a user is created, you can use the user to manage the cluster and submit jobs.
A job is the basis of E-HPC. A job consists of a shell script and executable file. Jobs are run in a sequence that is determined by specified queues and scheduler. You can use GROMACS to simulate the motion of water molecules in the cluster.
You can monitor job performance metrics, view cluster performance history, and profile performance hotspots. You can also remotely connect to the cluster to view the job result.