[gmx-users] gromacs build options

[Mark Abraham]

Hi,

This is the job of the wrapper compiler I've been telling you to use. Do
any setup it requires, then

cmake -DCMAKE_C_COMPILER=/path/to/mpicc -DCMAKE_CXX_COMPILER=/path/to/mpic++

It doesn't make sense to consider trying to use the same cmake option that
you use to tell cmake where GROMACS will later be installed, to be the path
where it should find MPI to build with. Not even configure --prefix works
like that :-)

Mark

On Sat, Oct 8, 2016 at 1:32 PM Mahmood Naderan <mahmood.nt at gmail.com> wrote:

> ​OMPI-2.0.1 is installed on the system. I want to tell gromacs that mpifort
> (or other wrappers) are in /share/apps/openmpi-2.0.1/bin and libraries are
> in /share/apps/opnempi-2.0.1/lib
>
> How can I tell that to cmake?
>
> Regards,
> Mahmood
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