[DFTB-Plus-User] Regarding DFTB+ in parallel

Hegoi Manzano hmanzano at MIT.EDU
Wed Feb 10 00:11:20 CET 2010


Hi, 

I have compiled DFTB+ in a Dell x_64 machine with 4 processors each of them with 4 cores. I want to run the job in parallel using the 16 nodes that I have. Then, how should be the mpirun command? If I try

 mpirun -cpus-per-proc 4 ./dftb+

It works in 4 processors, but what about the 4 cores per processor? Are they being used? Sorry for my ignorance on the parallel issues, and thanks in advance.

Hegoi
________________________________________________

Dr. Hegoi Manzano

Concrete Sustainability Hub.
Massachusetts Institute of Technology, Room 5-330
77 Massachusetts Avenue, Cambridge, MA02139

e-mail: hmanzano at mit.edu // hegoi.manzano at gmail.com
           www.hegoi-manzano.blogspot.com
________________________________________________


More information about the DFTB-Plus-User mailing list