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 <jalem...@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> > > ==============================**========== > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- ====================================================================== Thomas Evangelidis PhD student University of Athens Faculty of Pharmacy Department of Pharmaceutical Chemistry Panepistimioupoli-Zografou 157 71 Athens GREECE email: tev...@pharm.uoa.gr teva...@gmail.com website: https://sites.google.com/site/thomasevangelidishomepage/ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
