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Overview

Last Updated: Sep 03, 2021

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.

Procedure
  1. Create a cluster

    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.

  2. Create a user

    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.

  3. Create and submit a job

    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.

  4. View the performance and result of a job

    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.