[gmx-users] Fwd: Compiling issue : Compiling gromacs 4.5.4 with intel compiler suite 12.0 SOLVED !

[Szilárd Páll]

Hi,

Good that managed to solve the issue!

Even though it might have been caused by a bug in the autoconf
scripts, as these are the final days for the autoconf support in
Gromacs,  I see a very slim change that it will get
investigated/fixed.

--
Szilárd



On Tue, May 10, 2011 at 4:19 PM,  <Kalavera at gmx.net> wrote:
> Dear Gromacs user,
>
> my intel compiler issue got solved with a combination off autoconfiger and cmake. In a first step, I used autoconfigure for FFTW-3.2.2 and solved my compilation/segfault problems for gromacs-4.5.4 with cmake:
>
>
> ##For FFTW compilation ##
>
> ./configure --enable-threads --enable-float --enable-shared --prefix=/usr/fftw-3.2.2/fftw_fertig/ CC=icc F77=ifort CXX=icpc
>
> make -j4
> make install
>
> ##For Gromacs compilation ##
>
> export CXX=icpc
> export CC=icc
>
> cmake -D CMAKE_INSTALL_PREFIX=/usr/gromacs_cmake -D FFTW3F_INCLUDE_DIR=/usr/fftw-3.2.2/fftw_fertig/include -D FFTW3F_LIBRARIES=/usr/fftw-3.2.2/fftw_fertig/lib/libfftw3f.a ../gromacs-4.5.4
>
> make -j4
> make install
>
> ##########################
>
>
> This worked fine for me and might be a solution for some people with similar problems. Thanks for your kind support.
>
> M.Kalavera
>
> --
> Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir
> belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de
> --
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>