[gmx-users] GPU warnings
tevang3 at gmail.com
Sun Nov 4 17:32:13 CET 2012
I 'm also get the first warning ("oversubscribing the available...") and
see no obvious performance gain. Do you know how to avoid that?
On 4 November 2012 14:59, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 11/4/12 4:55 AM, Albert wrote:
>> I am running Gromacs 4.6 GPU on a workstation with two GTX 660 Ti (2 x
>> CUDA cores), and I got the following warnings:
>> thank you very much.
>> WARNING: On node 0: oversubscribing the available 0 logical CPU cores per
>> 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:
>> #1: NVIDIA GeForce GTX 660 Ti, compute cap.: 3.0, ECC: no, stat:
>> 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 A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
157 71 Athens
email: tevang at pharm.uoa.gr
tevang3 at gmail.com
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