Re: [ESPResSo-users] boost_mpi not available

[Rudolf Weeber]

Hi,
On Fri, Jan 26, 2018 at 05:10:29PM +0100, Andreas Härtel wrote:
> Dear ESPResSo list,
> I like to make/compile espresso on the BW nemo cluster, where boost_mpi is
> not available (cmake always stops with an error). Is it possible to switch
> MPI off or to work around? I need ESPResSo just as a single core job.
> I am using the current development version.
> Thanks and best regards,
> Andreas
Espresso requires mpi even on a single core. Otherwhise, it would be necessary 
to write a lot of code twice and keeping the copies synchronized thereafter.
Compiling boost is not terribly complicated. On clusters, you typically need to 
load the mpi and gcc modules you are using for compiling Espresso before 
starting the process.
After compiling boost, you need to pass
-D Boost_DIR=path_to_your_boost_build 
to cmake.
I did that successfully on BW Unicluster.
The help desk of the cluster might also be willing to help or to provide 
boost-mpi as a module.

Regards, Rudolf