Skip to content

ICER Home Page
ICER Announcements Blog

ICER

Gaussian workshop slides

Initializing search

ICER masthead graphic

ICER masthead graphic

ICER masthead graphic

MSU HPCC User Documentation

MSU-ICER-User-Documentation

Home
Access the HPCC
Access the HPCC
HPCC resources
HPCC resources
Computing environment
Computing environment
File systems
File systems
File transfer
File transfer
- File transfer
- Large file transfer (Globus)
- Cloud storage file transfer
- Mapping drives
  Mapping drives
  - Mapping drives using Samba
  - Mapping drives using SSHFS
Software module system
Software module system
Powertools
Powertools
Job submission by SLURM
Job submission by SLURM
- Overview
- General rules for writing a job script
- List of job specifications
- Example job scripts
- Interactive Job
- SLURM resource request guide
- SLURM environment variables
- Job constraints
- Showing job steps
- Controlling jobs
- SLURM queueing and partitions
- Buy-in and account management
- Job policies
- How jobs are scheduled
- Scavenger Queue
- Checkpointing
  Checkpointing
- Connections to compute nodes
- Torque vs. SLURM comparisons
  Torque vs. SLURM comparisons
Software tutorials
Software tutorials
- AlphaFold
  AlphaFold
  - AlphaFold on HPCC
  - AlphaFold via Singularity
- ANSYS
- Bioinformatics software
  Bioinformatics software
- Command line and shell scripting
  Command line and shell scripting
- COMSOL
- Containers: Singularity and Docker
  Containers: Singularity and Docker
- Data Display Debugger
- Gaussian
  Gaussian
- make
- Matlab
- Perl
  Perl
  - Installing Local Perl Modules with CPAN
- Python (overview)
  Python (overview)
- Pytorch/Pytorch Lightning
  Pytorch/Pytorch Lightning
  - Installing Pytorch with Anaconda
- R (overview)
  R (overview)
- TensorFlow
  TensorFlow
Training material
Training material
- Workshop slides
- Others
  Others
  - Targeting Cluster Architectures
  - HPC concepts
FAQ
Lab Notebooks
Tags
Archive
Archive

Gaussian on HPCC

Here is the slides pdf for the Gaussian workshop.

May 26, 2022 May 26, 2022

Nanye Long

Was this page helpful?

Thanks for your feedback!

Thanks for your feedback! Help us improve this page by using our feedback form.

Contact Information
Privacy Statement (link is external)
Site Accessibility (link is external)

Call MSU: (517) 355-1855
Visit: msu.edu (link is external)
MSU is an affirmative-action, equal-opportunity employer.

SPARTANS WILL.
© Michigan State University Board of Trustees