Re: [ESPResSo-users] Parallel Running

[roya moghaddasi]

Dear Stefan,

Thank you for your help,

So what should I write in terminal for my programs with LB,

You know, using LB slows my programs alot, and I want to make it as faster as possible.

Best regards,

Roya

On Monday, 21 July 2014, 12:55, Stefan Kesselheim <address@hidden> wrote:

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