HEC 3.0 Documentation

Contents

Overview of the HEC

• Introduction
• How the HEC Works
• Applying for HEC access
• Referencing and Acknowledging the HEC

HEC Basics

• Logging in to the HEC
• Learning Linux/Unix
• Using Filestore on the HEC
• Using environment modules

Job submission and monitoring

• Job Submission on the HEC
• Monitoring jobs on the HEC
• Running large memory jobs on the HEC
• Job arrays - Submitting multiple similar jobs

Parallel job submission

• Overview of Parallel jobs
• Message Passing Interface (MPI) parallel jobs
• OpenMP parallel jobs
• Requesting specific node types
• GPU Jobs

Job templates for popular software

• Introduction
• Using C and Fortran compilers on the HEC
• ANSYS
• The COMSOL Multiphysics Package
• CP2K
• CST
• GROMACS
• The GNU Scientific Library (GSL)
• The LAMMPS molecular dynamics simulator
• Matlab
• The NAMD molecular dynamics simulator
• The Open Cognitive Environment (Open-CE) Software Suite
• The R Stats Package
• Stata and StataMP
• Turbomole