Re: [ESPResSo-users] Parallel Running

[Stefan Kesselheim]

Hi Roya,

On Jul 21, 2014, at 9:36 AM, roya moghaddasi <address@hidden> wrote:

> Hello everybody,
> I want to know how can I run my program parallel?
> Just typing "mpirun -np 8 ./Espresso file.tcl" in terminal is enough or not?

Yes, that runs (almost) all parts of the code in parallel. 

> Besides I have LB in some of my programs, so should I run it on GPU?
> How can I run parallel on gnu?

We (currently) support only a single GPU for LB: If you do mpirun -np 8 
./Espresso file.tcl, the code will execute with 8 cpu's that communicate over 
MPI and a single GPU, that is installed in the node of thread index 0. Multiple 
GPUs require quite dramatic changes, and thus is not really planned for the 
close future.

Cheers
Stefan