Hi, First obvious thing: v4.6.1 is severely outdated, so is the compiler used, gcc 4.4. Does 4.6.7 compiled with something more recent reproduce the issue?
Cheers, -- Szilárd On Mon, Dec 7, 2015 at 6:14 PM, Fabricio Cannini <fcann...@gmail.com> wrote: > Hello > > I have a user complaining of the error above when running with a > cuda-enabled mdrun, says also that the same system runs fine when using > only cpus. I did a little research and found the following links: > > First: http://www.gromacs.org/Documentation/Errors#Range_Checking_error > > Which lead me to the 2nd link: > http://www.gromacs.org/Documentation/Terminology/Blowing_Up > > And also: > http://www.gromacs.org/Documentation/Terminology/Reproducibility > > She insists that the problem is not her input. > > As a sainty check, I took the inputs from the '3072' directory of the > 'water' benchmark and ran on her machine with the cuda-enabled mdrun, and > all went fine. > > > This is the environment: > GROMACS: 4.6.1 > OS: Centos 6.5 x86_64 > CC: gcc 4.4.7 > BLAS/LAPACK: openblas 0.2.14 > FFT: fftw 3.3.4 > CUDA RUNTIME: 6.0-52 > CUDA DRIVER: 352.63 > > > Here are the inputs, if anybody wants to take a look: > http://200.204.163.103/gromacs/adh-cubic.tar.bz2 > > This is the 'water' benchmark: > ftp://ftp.gromacs.org/pub/benchmarks/water_GMX50_bare.tar.gz > > > Any clues to what might be wrong are welcome. > > > TIA, > Fabricio > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
