[gmx-users] GPU Installation

[Carmen Di Giovanni]

Many thanks Mark






----- Original Message ----- 
From: "Mark Abraham" <mark.j.abraham at gmail.com>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Monday, February 16, 2015 1:15 PM
Subject: Re: [gmx-users] GPU Installation


> Hi,
>
> Technically yes, but usefully, no. I suspect all GPU MD implementation 
> need
> several tens of thousands of particles per GPU to work efficiently, and 
> the
> more GPUs the more issues there are to manage (for software and hardware).
> The GROMACS implementation needs a comparably tasty CPU, which you 
> probably
> can't get for 8 GTX Titans. So for GROMACS, I would think more in terms of
> 4 Titans per dual-socket Haswell node.
>
> Mark
>
> On Mon, Feb 16, 2015 at 11:30 AM, Carmen Di Giovanni <cdigiova at unina.it>
> wrote:
>
>> Dear all,
>> I would like to known if Gromacs can be installed on 8 GPU GTX Titan in
>> parallel
>> Thank you in advance
>> Carmen
>>
>>
>>
>> Carmen Di Giovanni, PhD
>> Postdoctoral Researcher
>> Dept. of Pharmacy
>> "Drug Discovery Lab"
>> University of Naples "Federico II"
>> Via D. Montesano, 49
>> 80131 Naples
>> Tel.: ++39 081 678623
>> Fax: ++39 081 678100
>> Email: cdigiova at unina.it
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