Re: Running NAMD on Intel OmniPath

From: Mauro Lapelosa (maurolap_at_gmail.com)
Date: Thu Jul 27 2017 - 13:06:24 CDT

Hi Maxime,
You may want to compile the source.

./build charm++ mpi-linux-x86_64 smp --with-production -j8

and for NAMD is something like:

./config Linux-x86_64-g++ --charm-arch mpi-linux-x86_64

It should work.

Best Regards,

Mauro Lapelosa

On Thu, Jul 27, 2017 at 8:00 PM, Maxime Boissonneault <
maxime.boissonneault_at_calculquebec.ca> wrote:

> Hi,
>
> We just deployed a cluster with Intel OmniPath instead of InfiniBand as a
> network fabric. We are having problems running NAMD on that hardware. It
> works within a node, but not between nodes.
>
> Is there anything special we should do for compiling it to work on this ?
>
>
> Thanks,
>
> --
> ---------------------------------
> Maxime Boissonneault
> Analyste de calcul - Calcul Québec, Université Laval
> Président - Comité de coordination du soutien à la recherche de Calcul
> Québec
> Team lead - Research Support National Team, Compute Canada
> Instructeur Software Carpentry
> Ph. D. en physique
>
>

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