[gmx-users] Multi-level parallelization: MPI + OpenMP
germaneau at sjtu.edu.cn
Fri Jul 19 03:35:42 CEST 2013
I'm note a gromacs user, I've installed gromacs 4.6.3 on our cluster
and making some test.
Each node of our machine has 16 cores and 2 GPU.
I'm trying to figure how to submit efficient multiple nodes LSF jobs
using the maximum of resources.
After reading the documentation
on "Acceleration and parallelization" I got confused and inquire some help.
I'm just wondering whether someone with some experiences on this matter.
I thank you in advance,
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Éric Germaneau <http://hpc.sjtu.edu.cn/index.htm>
Shanghai Jiao Tong University
Network & Information Center
800 Dongchuan Road
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