[gmx-users] Compilation problems after installing Gromacs 5.1.2 on Ubuntu 14.0

[Mark Abraham]

Hi,

I believe the instructions in share/template/README cover this. You need to
have done something to tell the template which GROMACS installation you
want to link with.

Mark

On Thu, Jul 28, 2016 at 5:24 PM Martha Herreira <marthaherreira22 at gmail.com>
wrote:

> Hello List,
>
> I've installed Ubuntu 14.0 in a new machine along with Gromacs 5.1.2.
> Gromacs compiled and installed without any warning, but whenever I use the
> commands cmake/make in order to compile the template.cpp file I receive the
> following message:
>
> "cannot find -lgmxfftw"
>
> If I try to use 'make -f Makefile.pkg' I receive a couple of messages about
> undefined functions, just like this one:
>
> template.cpp:(.text+0xc7): undefined reference to
> `gmx::TrajectoryAnalysisModule::TrajectoryAnalysisModule(char const*, char
> const*)'
>
> If I install an older version, 4.6.x, cmake works fine but make -f
> Makefile.pkg behaves in the same manner.
>
> Anyone here went through the same problem?
>
> Martha.
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