Using COARE - High-Performance Computing (HPC)

Page / - last modified by tonee on Wed, 03/13/2024, 11:24 AM

High-Performance Computing (HPC)

last modified by tonee

on Wed, 03/13/2024, 11:24 AM

Table of Contents

The Saliksik High-Performance Computing (HPC) cluster provides researchers with computational power necessary for computationally intensive requirements such as molecular simulations, quantum mechanics calculations, among others.

Basic HPC Usage

Introduction

Applications for Windows

Accessing the HPC

Generating SSH Key Pairs

Terminal

Graphical

Logging In

Terminal

Interactive Command

SSH Configuration File

Graphical

HPC Layout

Storage Quotas

Uploading and Downloading Files

Terminal

Using scp

Using rsync

Graphical

Modules and Environments

Module Commands

Anaconda

Configure conda and mamba

Initialize conda and mamba

Change the Default Locations

Manage Environments

Create Environments

List Environments

Activate an Environment

Remove an Environment

Manage Packages

Install and Remove Packages

List Installed Packages

SLURM

Partitions and Quality-of-Service (QOS)

Job Parameters

Required Parameters

Optional Parameters

Job Script

Job Management

Activity

Create Environment

Install Additional Packages

Compile and Execute Code

Benchmarking

Conclusion

Notes