[gmx-developers] GPU

[Szilárd Páll]

Hi,

As this is not a development-related question I'm moving the
discussion to the user's list. Future replies should be sent *only* to
gmx-users at gromacs.org.

As Axel pointed out, the list of CUDA-compatible devices is much
broader than the list of cards we label compatible. The compatibility
check is just a safety measure as GPUs not considered compatible will
be slower than most recent CPUs (see performance comparison on the
website http://goo.gl/eo0jS) especially in explicit water simulations.

However, you can always try by using the "force-device=yes" option and
see what performance you get, but you shouldn't expect much from a
mobile GPU.

Cheers,
--
Szilárd

>> Thank you
>> Waleed
>>
>> ==============================================
>> Waleed A. Zalloum,
>> MSc of pharmacy and Pharmaceutical sciences,
>> Molecular Modeling
>> School of Pharmacy and Pharmaceutical Sciences,
>> Faculty of Medical and Human Sciences,
>> The University of Manchester
>> Manchester, UK
>> Third year PhD student.
>> E-mail: waleed_zalloum at yahoo.com
>> Mobile: +44(0)7863763084
>> ===============================================
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>
>
>
> --
> Dr. Axel Kohlmeyer    akohlmey at gmail.com
> http://sites.google.com/site/akohlmey/
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
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