Hi Andrew, We at Rescale (www.rescale.com) provide this exact on-demand service for running Gromacs jobs directly through your browser.
You can register at https://platform.rescale.com/register/, to get you started we are happy to provide you with some free hours to get you up and running. Our pricing is very competitive (http://www.rescale.com/pricing/platform/) with additional discounts for academic-only use. Let me know if you need any help getting your jobs set up - or just contact supp...@rescale.com. Cheers, Joris On Thu, Oct 18, 2012 at 4:59 PM, Andrew DeYoung <adeyo...@andrew.cmu.edu> wrote: > Hi, Gromacs users, > > If you have time, I am wondering if you have any advice, as a favor. > > I'm a graduate student in computational chemistry in the U.S. My department > has an EXCELLENT "in-house" cluster, on which I routinely run Gromacs jobs > on 8 to 24 cores. However, it occasionally happens that I run into a > "crunch time" need for some more computational resources. For example, I > recently found a mistake (an incorrect parameter) that I made in an .itp > file that I wrote. This means that I need to rerun a whole slew of > simulations as quickly as possible so that I can continue on with the > project. > > I am interested in purchasing temporary computational resources for using > Gromacs. Do any of you have experience running Gromacs "in the cloud" -- on > a service such as Amazon EC2 (http://aws.amazon.com/ec2/)? For my quick > need for computational resources, some sort of cloud solution looks > interesting to me. On the other hand, I could apply for time on XSEDE > (https://www.xsede.org/), but that would probably be a lengthier process, > and probably more suitable for a longterm solution. > > The problem with the cloud idea is that I am not an expert on computers and > networking, so I am worried that actually successfully using cluster time > might be difficult (whereas I have heard that, in contrast, Gromacs is > sometimes more or less pre-installed on university/national lab-based > supercomputer resources available through XSEDE grants). Have you ever used > Gromacs on a cloud service? > > Thank you for your time! > > Andrew DeYoung > Carnegie Mellon University > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
