Hi, Sorry for the delay in reply. I am able to access pdb/gro files of size 1.5 GB with Gromacs-5.1 version. My Desktop is 32-bit whereas my xtc files were generated on our super cluster, which runs on 64-bit O.S.
On Fri, Oct 2, 2015 at 9:46 AM, Teemu Murtola <teemu.murt...@gmail.com> wrote: > Hi, > > On Thu, Oct 1, 2015 at 6:30 PM Szilárd Páll <pall.szil...@gmail.com> > wrote: > > > On Thu, Oct 1, 2015 at 8:01 AM, Venkat Reddy <venkat...@gmail.com> > wrote: > > > Gromacs-5.1 version can not read xtc files. However, it can access > single > > > frame gro/pdb files. > > > > > > > That's a bold claim that IMO requires equally strong proof. > > > > I agree with Szilard. Are you saying that you cannot even read a > single-frame xtc file with just a few kB in size? How about other binary > files (e.g., trr)? How about large (>2GB) gro files? > > In your other mail to the list you were talking about a 32-bit Ubuntu VM. > > Are you sure you're not running into in incompatibility issue between the > > 32-bit binaries vs 64-bit xtc file(s) you're trying to read? > > > > I would still suspect that the underlying reason is that for some reason, > 5.1 gets compiled without large file support in your system, which makes > even plain fopen() fail on large files. The build system should give an > error if it cannot find 64-bit file support, but the check may be > imperfect. Someone who can reproduce the issue (i.e., has access to a > similar OS and other environment) should try what is actually required to > get 64-bit file support working there. Based on the information you posted > in Redmine, the build system already checks that off_t is 64-bit without > any extra defines on your system. The checks in the build system have not > changed between 5.0 and 5.1, though. > > Teemu > -- > 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. > -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics Department of Biotechnology IIT Madras Chennai INDIA-600036 -- 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.