Hi Matt, > Thanks- gromacs 4.5.5 is working with my NVidia card with the "force > option". I found one weirdness - if I check the card temperature > (using NVIDIA's configuration tool in X11) it seems like this messes > up the MR and all the trajectories after that point have no atoms in > VMD. So, that's probably not a good thing.
Wow, that sounds crazy. What driver version are you using? Try to update your device driver + nvidia-settings - I've been using 285.05.05/09 without problems. -- Szilárd > Thanks, > Matt > > On Mon, Oct 24, 2011 at 2:44 PM, Szilárd Páll <szilard.p...@cbr.su.se> wrote: >> Hi Matt, >> >> Yes, you should use the "force-device=yes" option, the patch which was >> meant to update the list of compatible GPUs didn't make it for 4.5.5. >> >> Cheers, >> -- >> Szilárd >> >> >> >> On Sun, Oct 23, 2011 at 10:24 PM, Matt Larson <larsonma...@gmail.com> wrote: >>> I am having an error trying to use a compiled mdrun-gpu on my GPU setup >>> here: >>> >>> >>> Fatal error: >>> The selected GPU (#0, GeForce GTX 580) is not supported by Gromacs! >>> Most probably you have a low-end GPU which would not perform well, or >>> new hardware that has not been tested with the current release. If you >>> still want to try using the device, use the force-device=yes option. >>> For more information and tips for troubleshooting, please check the GROMACS >>> website at http://www.gromacs.org/Documentation/Errors >>> >>> >>> ---- >>> >>> From what I can tell, the GTX 580 should be supported as of this >>> version of gromacs (4.5.5) - as it is listed in the supported cards. >>> I have openmm and CUDA libraries installed. >>> >>> - Openmm passes the test with >>> /usr/local/openmm/bin/TestReferenceHarmonicBondForce. >>> - NVIDIA driver is NVIDIA-Linux-x86_64-270.41.19 >>> (devdriver_4.0_linux_64_270.41.19.run patched with the >>> nvidia_kernel-3.0-rc1.patch to let it be installed on ubuntu 11.10). >>> - the NVIDIA_GPU_Computing_SDK examples run. >>> >>> I've also tried with the normal NVIDIA x86_64-280.13 driver, but same >>> error. >>> >>> From the gromacs GPU page >>> (http://www.gromacs.org/Downloads/Installation_Instructions/GPUs) it >>> is clear that the GTX 580 has been run with gromacs. >>> >>> Should I use the "force-device" option to use GTX 580, or is there a >>> reason that gromacs doesn't think it has support for this GTX 580 >>> card? >>> >>> Thanks much, >>> Matt Larson >>> -- >>> 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 >>> >> -- >> 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 >> > -- > 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 > -- 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
