On Thu, Dec 1, 2011 at 4:49 PM, Teemu Murtola <teemu.murt...@cbr.su.se> wrote: > On Thu, Dec 1, 2011 at 16:46, Szilárd Páll <szilard.p...@cbr.su.se> wrote: >>> With the pgi compiler, I am most concerned about this floating point >>> overflow warning: >>> >>> ... >>> [ 19%] Building C object src/gmxlib/CMakeFiles/gmx.dir/trajana/trajana.c.o >>> [ 19%] Building C object >>> src/gmxlib/CMakeFiles/gmx.dir/trajana/centerofmass.c.o >>> [ 19%] Building C object src/gmxlib/CMakeFiles/gmx.dir/trajana/nbsearch.c.o >>> PGC-W-0129-Floating point overflow. Check constants and constant expressions >>> (/home/nealechr/exe/pgi/gromacs-4.5.4/source/src/gmxlib/trajana/nbsearch.c: >>> 166) >> >> That looks like a bug, in case of real==float HUGE_VALF should be used >> instead of HUGE_VAL. > > I'll fix that; I think the best solution is to use GMX_REAL_MAX, as > HUGE_VALF isn't in C89, and might fail to compile, e.g., on Windows... > I think that on most implementations, HUGE_VAL equals infinity, and > thus works even in this context, but apparently not on all. > > And as Szilard said, this doesn't affect mdrun, only g_select at the > moment. Depending a bit on what the compiler does, it might even work > correctly despite the warning.
Great! I was about to submit the same fix to Gerrit, good that I checked back... -- Szilárd > Teemu > -- > 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
