[gmx-users] GPU warnings

[Szilárd Páll]

On Mon, Nov 19, 2012 at 4:09 PM, Thomas Evangelidis <tevang3 at gmail.com>wrote:

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

Indeed, I see it now in the log file. Let me try with icc 13 and will get
back to you.

>
> 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/
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