Software

 

Gaussian '16  |  Perkin-Elmer CCB E-Notebook Software

 

SoftwareFAS Research Computing provides faculty and researchers with the tools they need to take on large-scale computing challenges. Odyssey, Harvard’s largest supercomputer, offers 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.

Available Odyssey Software
CCB modules on Odyssey

Research Computing’s bioinformatics core helps researchers conduct large-scale sequence analysis on the Odyssey cluster. The core provides high level biostatistics support, helping researchers determine the significance of results from high-throughput microarray experiments, as well as assists in interpreting the results of high-throughput sequencing, and annotating genomes.

NOTE: Please see this page for more recent information about Gaussian '16.

 

Gaussian, an electronic structure modeling software application, is 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 from Research Computing (it requires authentication with a RC account to get access to the download): https://downloads.rc.fas.harvard.edu. 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, send an email to rchelp@fas.harvard.edu indicating your name, your advisor's name, the fact that you are in CCB, and that you want access to Gaussian 09.

With your Odyssey account, you will be able to submit jobs to open-access queues at no cost. Should you find that your jobs are waiting for a inconveniently long period of time before running, you can consult with the Research Computing staff about having your research group purchase additional computers. These computers would be housed in a server room and be 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.

 

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 any user encounters a permission error when attempting to run g09, they should email rchelp@fas.harvard.edu, identify their account username, and ask to be added to the linux "gaussian" group.