[gmx-developers] Fix for 2 small problems in the cmake for gmx 4.5.5

Szilárd Páll szilard.pall at cbr.su.se
Thu Mar 1 21:45:40 CET 2012

On Thu, Mar 1, 2012 at 9:23 PM, Ake Sandgren <ake.sandgren at hpc2n.umu.se> wrote:
> On Thu, 2012-03-01 at 18:17 +0100, Szilárd Páll wrote:
>> Hi,
>> Regarding the linking fix, I think we do not always need Fortran,
>> Gromacs compiles just fine without a Fortran compiler on X86_64. On
>> what platform/compiler did you have linking issues? I suspect that the
>> fix might not work in case if there is no Fortran compiler available.
> Ubuntu Linux using intel compiler.
> As soon as there is a fortran source file built and then included in the
> gmxlib you would most likely need it to build the shared lib with the
> fortran compiler instead of the C compiler. It's far more easy to do it
> that way then figuring out what the fortran runtime lib might be for
> what ever fortran compiler have been used and then explicitly add that
> at shared lib creation time.
> So whenever the fortran kernels are used for whatever reason...
> I'll see if i can come up with a better fix...

Right, but as far as I know we only have Fortran kernels for IBM BG
and I don't know of any other Fortran code. However, someone else
shoud pitch in here because I might as well be wrong. Devs, anyone?

On the other hand, I myself have compiled with Intel Compiler on
Ubuntu and not only and never had problems. Are you using some
external libraries except FFTW (BLAS, LAPACK)?

>> Could you please submit the patches separately to gerrit.gromacs.org?
> I'll try to remember that tomorrow.

Thanks! Feel free to just push patches to gerrit whenever you find something!

Here's the guide with the few lines of command you'll need to set up
your git for gerrit: http://www.gromacs.org/Developer_Zone/Git/Gerrit

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