[gmx-users] GPU warnings

[Thomas Evangelidis]

I 'm also get the first warning ("oversubscribing the available...") and
see no obvious performance gain. Do you know how to avoid that?

thanks,
Thomas



On 4 November 2012 14:59, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/4/12 4:55 AM, Albert wrote:
>
>> hello:
>>
>>   I am running Gromacs 4.6 GPU on a workstation with two GTX 660 Ti (2 x
>> 1344
>> CUDA cores), and I got the following warnings:
>>
>> thank you very much.
>>
>> ---------------------------**messages----------------------**
>> -------------
>>
>> WARNING: On node 0: oversubscribing the available 0 logical CPU cores per
>> node
>> with 2 MPI processes.
>>           This will cause considerable performance loss!
>>
>> 2 GPUs detected on host boreas:
>>    #0: NVIDIA GeForce GTX 660 Ti, compute cap.: 3.0, ECC:  no, stat:
>> compatible
>>    #1: NVIDIA GeForce GTX 660 Ti, compute cap.: 3.0, ECC:  no, stat:
>> compatible
>>
>> 2 GPUs auto-selected to be used for this run: #0, #1
>>
>> Using CUDA 8x8x8 non-bonded kernels
>> Making 1D domain decomposition 1 x 2 x 1
>>
>> * WARNING * WARNING * WARNING * WARNING * WARNING * WARNING *
>> We have just committed the new CPU detection code in this branch,
>> and will commit new SSE/AVX kernels in a few days. However, this
>> means that currently only the NxN kernels are accelerated!
>> In the mean time, you might want to avoid production runs in 4.6.
>>
>>
> I can't address the first warning, but the second is fairly obvious.
>  You're not using an official release, you're using the development version
> - let the user beware.  The code is not yet production-ready.
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
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-- 

======================================================================

Thomas Evangelidis

PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE

email: tevang at pharm.uoa.gr

          tevang3 at gmail.com


website: https://sites.google.com/site/thomasevangelidishomepage/