[ESPResSo] Re: Parallel Simulations and System Initialization

[Lorenzo Isella]

Hello,
Thanks for the reply. Before delving into the intricacies of setting up 
the environmental variables in OpenMPI, I wonder if there is any 
parallelization library which is automatically recognized and supported 
by Espresso.
I would like to keep it as simple as possible at this stage (also 
because I do not have a view of which library I should pick up right now).
In other words: do you (or does anyone on the list) know a library which 
allows Espresso to take advantage of having 2 CPU's at its own disposal 
once it has been properly installed on the system? Does such a library 
exist as a Debian package?
If the answer is not to both question, then I think I am left with 
learning how to set up the OpenMPI environment on my system.
Cheers

Lorenzo


Olaf Lenz wrote:
> Indeed, OpenMPI is not yet directly supported by ESPResSo. This means,
> that it is not automatically recognized and can't set all the necessary
> environment variables and compiler flags. We should definitely add this
> to ESPResSo.
>
> Still, it is no problem to use ESPResSo with OpenMPI - many people do
> so, including myself.