[gmx-users] Compiling GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10

[Mark Abraham]

Hi,

Thanks, sorry about that. We'll fix that for next release.

You can simply remove the call on line 472 of src/gromacs/mdlib/tpi.c

Mark

On Tue, May 19, 2015 at 5:59 PM Duy Tran Phuoc <tranpduy87 at gmail.com> wrote:

> Hi everyone,
> I try to compile GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10 with the command
> from installation instruction page
>
> http://www.gromacs.org/Documentation/Installation_Instructions_5.0#linear-algebra-libraries
> I use the Fujitsu compiler with the custom build toolchain as suggestion
> from the GROMACS webpage.
> The command is:
> >>  ~/software/cmake/bin/cmake ../
> -DCMAKE_INSTALL_PREFIX=/home/k0055/k005503/software/gromacs  -DGMX_MPI=ON
>
> -DCMAKE_TOOLCHAIN_FILE=../cmake/Platform/Toolchain-Fujitsu-Sparc64-mpi.cmake
> -DCMAKE_PREFIX_PATH=/usr/local/fftw/3.3 -DGMX_BUILD_MDRUN_ONLY=ON
> -DGMX_RELAXED_DOUBLE_PRECISION=ON
>
>
> But unfortunately, I got this message after running make.
>
> ../../lib/libgromacs_mdrun_mpi_d.a(tpi.c.o): In function `do_tpi':
> tpi.c:(.text+0x2130): undefined reference to
> `gmx_simd_check_and_reset_overflow'
> make[2]: *** [bin/mdrun_mpi_d] Error 1
> make[1]: *** [src/programs/CMakeFiles/mdrun.dir/all] Error 2
> make: *** [all] Error 2
>
>
> Is there any suggestion on this problem? Thank you a lot.
> --
> 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-request at gromacs.org.
>