[gmx-users] GPU warnings

[Thomas Evangelidis]

Hi Szilárd,

I compiled with the Intel compilers, not gcc. In case I am missing
something, these are the versions I have:

glibc.i686                            2.15-57.fc17
@updates
glibc.x86_64                          2.15-57.fc17
@updates
glibc-common.x86_64                   2.15-57.fc17
@updates
glibc-devel.i686                      2.15-57.fc17
@updates
glibc-devel.x86_64                    2.15-57.fc17
@updates
glibc-headers.x86_64                  2.15-57.fc17               @updates

gcc.x86_64                            4.7.2-2.fc17
@updates
gcc-c++.x86_64                        4.7.2-2.fc17
@updates
gcc-gfortran.x86_64                   4.7.2-2.fc17
@updates
libgcc.i686                           4.7.2-2.fc17
@updates
libgcc.x86_64                         4.7.2-2.fc17               @updates


Thomas



On 19 November 2012 16:57, Szilárd Páll <szilard.pall at cbr.su.se> wrote:

> Thomas & Albert,
>
> We are unable to reproduce the issue on FC 17 with glibc 2.15-58 and gcc
> 4.7.2.
>
> Please try to update your packages (you should have updates available for
> glibc), try recompiling with the latest 4.6 code and report back whether
> you succeed.
>
> Cheers,
>
> --
> Szilárd
>
>
> On Fri, Nov 16, 2012 at 4:31 PM, Szilárd Páll <szilard.pall at cbr.su.se
> >wrote:
>
> > Hi Albert,
> >
> > Apologies for hijacking your thread. Do you happen to have Fedora 17 as
> > well?
> >
> > --
> > Szilárd
> >
> >
> >
> > On Sun, Nov 4, 2012 at 10:55 AM, Albert <mailmd2011 at gmail.com> 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.
> >>
> >> --
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> >
> >
> --
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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/