[gmx-users] gromacs build options

Mahmood Naderan mahmood.nt at gmail.com
Sun Oct 9 13:59:13 CEST 2016


Thanks. Got it.

Regards,
Mahmood



On Sun, Oct 9, 2016 at 2:36 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Great. But CMAKE_INSTALL_PREFIX and CMAKE_PREFIX_PATH are different things
> that do different jobs (specify where to install vs where to search for
> dependencies).
>
> Mark
>
> On Sun, Oct 9, 2016 at 12:20 PM Mahmood Naderan <mahmood.nt at gmail.com>
> wrote:
>
> > Hi mark,
> > Thank you very much. In fact the following commands did the job
> >
> >
> > $ cmake ..  -DCMAKE_C_COMPILER=/share/apps/computer/openmpi-2.0.1/
> bin/mpicc
> > -DCMAKE_CXX_COMPILER=/share/apps/computer/openmpi-2.0.1/bin/mpic++
> > -DCMAKE_PREFIX_PATH=/share/apps/chemistry/gromacs-5.1
> > -DGMX_BUILD_OWN_FFTW=ON -DBUILD_SHARED_LIBS=off -DGMX_BUILD_MDRUN_ONLY=on
> > $ make
> > $ sudo make install
> >
> >
> > However, after "sudo make install", the bin/mdrun goes in to
> > /usr/local/gromacs and not what I specified in the PREFIX_PATH.
> >
> >
> > I am not a user of gromacs. But as a cluster admin, I installed gromacs
> for
> > the users.
> >
> > Thanks a lot.
> >
> >
> > Regards,
> > Mahmood
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