Software

The FAS Research Computing group offers tools for researchers to tackle large-scale computing challenges. Odyssey, Harvard’s largest supercomputer, gives users over 2.5 Petabytes of raw storage, more than 17,000 processing cores, and numerous software modules and applications. Research Computing can also host and create scientific applications not already on the Odyssey system.

 

Visit the Research Computing website to learn more about their services, software, and trainings. You can also use their searchable documentation database to track down specific information on Odyssey.

Research Computing’s bioinformatics core helps researchers conduct large-scale sequence analysis on the Odyssey cluster, provides high level biostatistics support (e.g., determining the significance of results from high-throughput microarray experiments), helps interpret results of high-throughput sequencing, and annotates genomes.

 

Gaussian

Gaussian is an electronic structure modeling software application available on the Odyssey computing cluster. All CCB users with active Odyssey accounts have been added to the appropriate group to run the software. GaussView 5 is an advanced graphical interface for Gaussian and runs locally on your computer. Installation disks (Mac and PC) are available for check-out from the CCB Library. GaussView 5 is also available to download from Research Computing (requires authentication with an RC account). Anyone in CCB is eligible to receive an account on Odyssey at no cost to their group. All users in a research group will share an amount of disk space which can be upgraded for a modest fee.

To sign up for an account, email rchelp@fas.harvard.edu with your name, advisor's name, CCB affiliation, and your interest in acquiring access to Gaussian 09.

With your Odyssey account, you can submit jobs to open-access queues at no cost. If your jobs are waiting for an inconveniently long period of time before running, we recommend you consult with Research Computing staff about having your research group purchase additional computers. These computers would be housed in a server room and administered by the Research Computing group. Your research group would have priority access on the nodes that were purchased with your group's funds. Hardware purchases start at the $10,000 level.

Find our most up-to-date information on using Gaussian '16.

 

Working with Gaussian on Odyssey

Load the Gaussian module by typing the module load command, or placing it in your .bashrc file as follows: module load hpc/gaussian-09_b01. Detailed instructions and documentation are available on the Gaussian website (see Related Links)

If you encounter a permission error when attempting to run g09, email rchelp@fas.harvard.edu, identify your account username, and ask to be added to the linux "gaussian" group.