Wonderful news today, fabulous day to support great science with great colleagues!
Congrats Martin! A great day to be in the support of amazing computing resources here @harvard http://t.co/sfMAjO42Xp #hpc
— James Cuff (@jamesdotcuff) October 9, 2013
Reminds me of my first few days here at Harvard, (email below) and my rather epic faux pas with messing up how to refer to CHARMM ;-) This was also the first Infiniband cluster we put in when I arrived. Things sure have grown since those early days when we were scrambling for resource. Martin was right, we did need a whole lot more compute and now RC has over 55,000 CPU, we almost have enough horsepower to run some halfway decent molecular dynamics! We are so proud to in our small way have been able to support Martin's group and his achievements - a good news day all round!
From: Martin Karplus
Date: Fri, Jun 30, 2006 at 6:04 PM
Subject: Re: dellblades.
To: James Cuff
It was good to meet with you. Once the Dell benchmarking is complete (perhaps some experts from them or you can do some optimization of CHARMM on the Dell blades beyond what we have done ourselves), we should discuss the future.
In the longer run, there is a need for more computer power and I am sure we all hope that the FAS will provide some funding.
PS The CHARMM program refers to the academic version which is distributed by Harvard University; CHARMm refers to the commercial version distributed by Accelrys. Rather than calling it "charmm", it is important to make this distinction and for the program we use as CHARMM.