Re: [AMBER] CUDA MPI issues

From: Brent Krueger <>
Date: Fri, 27 May 2016 07:36:55 -0400


Before you go buying a new MB, do note that Ross mentioned that your
current system will run two separate pmemd.cuda jobs (one per GPU) just
fine. Unless you have a large number of these computers it is likely that
you will have more jobs that you desire to run than GPU boards. So using
one board per job will probably work out well for you. We have a couple
dozen GPUs in my (small) group and, while we do have the capability of
using multiple GPUs per job, we almost never use it. We always have more
jobs that we want to run than we have GPUs available, so we are always
using just one GPU per calculation anyway.

It depends on exactly what you intend to do, but you may be well-served by
these boards for now. If things go well and you decide to invest in more
GPUs then you can make a more informed decision about what system to
purchase the next time around.


On Fri, May 27, 2016 at 3:12 AM, Biplab Ghosh <>

> Hi Ross,
> Good morning!
> As you have correctly pointed out, there is not enough space for the GPU
> card to
> go slot number-1. All the SATA ports are coming on the way. So, I have no
> other choice but to change the board with one having slightly different
> layout
> so that both GPU can go to a single CPU.
> Do you think the following motherboard will do the job?
> Thank you very much and regards,
> Biplab.
> --
> "Simplicity in life allows you to focus on what's important"
> On 26 May 2016 at 23:42, Biplab Ghosh <> wrote:
> > Dear Dr. Ross Walker,
> >
> > Thank you very much for keeping my hope alive. I will try to execute your
> > suggestions
> > tomorrow and will post you the updates.
> >
> > With regards
> > Biplab.
> >>
> >>
> >>
> >>
> >>
> _______________________________________________
> AMBER mailing list

Brent P.   616 395 7629
Professor.................................fax:       616 395 7118
Hope College..........................Schaap Hall 2120
Department of Chemistry
Holland, MI     49423
AMBER mailing list
Received on Fri May 27 2016 - 05:00:02 PDT
Custom Search