The first warning indicates that you are starting more threads than the hardware supports which would explain the poor performance.
Could share a log file of the suspiciously slow run as well as the command line you used to start mdrun? Cheers, -- Szilárd On Sun, Nov 4, 2012 at 5:32 PM, Albert <mailmd2...@gmail.com> wrote: > well, IC. > the performance is rather poor than GTX590..... 32ns/day vs 4 ns/day > probably that's also something related to the warnings? > > THX > > > > On 11/04/2012 01:59 PM, Justin Lemkul 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 >> >> > -- > 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> > -- 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