Re: [AMBER] pmemd cuda MPI nmropt crashes

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 06 Nov 2012 00:12:55 -0700

Hey Scott,

What compiler and MPI combination are you using here? I am trying to
reproduce this using the current git tree with mvapich2-1.4.1p1 and gnu
4.4.5-6 with NVCC 4.2 and every works great in DPDP mode on either 1 or 2
GPUs. Do you have a simple repo that you see problems with?

See: http://bugzilla.ambermd.org/show_bug.cgi?id=205

All the best
Ross


On 11/5/12 11:36 PM, "Scott Brozell" <sbrozell.rci.rutgers.edu> wrote:

>Hi Ross,
>
>Was a notice posted somewhere ?
>
>If not then please put one on the amber gpu page.
>It's a fair amount of work to investigate failing tests;
>let's spare our users the several hours of work i already spent.
>
>thanks,
>scott
>
>On Mon, Nov 05, 2012 at 10:29:08PM -0700, Ross Walker wrote:
>> Hi Scott,
>>
>> We know. Scott Le Grand and I are looking into it although other pesky
>> things keep getting in the way. Hope to have a fix soon along with CUDA
>> 5.0 support.
>>
>> For now just run single GPU if using NMROPT.
>>
>> All the best
>> Ross
>
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Received on Tue Nov 06 2012 - 00:30:02 PST
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