Re: [gmx-users] A favor question: experience running Gromacs in the cloud

At Rescale (www.rescale.com) we have cloud-based options for 10Gb/s I/O to run mpi versions of Gromacs. The performance for these has been very good and can scale to hundreds of simulation dynos (computing nodes). Regardless of which service you use, I would highly recommend trying some of the cl

Re: [gmx-users] A favor question: experience running Gromacs in the cloud

Hi, When it comes to hardware, pretty much the only thing that matters is processors (CPUs and maybe GPUs) , memory will always be more than enough -- unless you plan to run massive analysis in the cloud. In general, if your simulation system runs fast enough on a single compute node (1-2 CPUs), t

Re: [gmx-users] A favor question: experience running Gromacs in the cloud

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 p

[gmx-users] A favor question: experience running Gromacs in the cloud

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