HI, First of all, icc 11 is not well tested and there have been reports about it compiling broken code. This could explain the crash, but you'd need to do a bit more testing to confirm. Regading the GPU detection error, if you use a driver which is incompatible with the CUDA runtime (at least as high API version, see the mdrun log header's last two lines) and at the moment, some of such cases are not detected particularly gracefully.
A few things to try: - use gcc, 4.7 is as fast or faster than any icc; - run with the "-nb cpu" option; does it still crash? - run with GPU detection completely disabled* - run the regressiontests; try using CPUs only* *You can set the GMX_DISABLE_GPU_DETECTION environment variable to completely disable the GPU detection. Cheers, -- Szilárd On Mon, Sep 9, 2013 at 9:52 PM, Guanglei Cui <amber.mail.arch...@gmail.com> wrote: > Dear GMX users, > > I recently compiled Gromacs 4.6.3 with CUDA (Intel compiler 11.x, SSE2, and > CUDA SDK 5.0.35). I was doing a test run with simply 'mdrun -deffnm > eq2_npt_verlet' (letting mdrun figure out what to use). I received the > error telling me my graphics driver was older than the CUDA SDK, and > regular CPU code would be used instead. Then, it crashed with Segmentation > Fault. The code runs properly on another node where the graphics driver is > more up to date. I wonder if the crashing is somewhat expected, and > therefore I should prepare different binaries based on the capabilities of > different nodes. Thanks. > > Best regards, > -- > Guanglei Cui > -- > 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
