[gmx-users] intel or gcc for opteron

Myunggi Yi myunggi at gmail.com
Sat Nov 24 16:31:59 CET 2007

Dear gromacs users,

I'm a beginner.
I'm trying to compile gromacs 3.3.1 or 3.3.2 on the following linux
cluster (centOS).
Dual, Dual-Core 2220 2.8 GHz Opterons, 2 GB RAM per core, 64-bit.
I will use 16 to 32 (64) cpus for the parallel simulations.

I tested mpich2, but there is a problem with infiniband communications.

I have intel and GNU compilers and openMPI.

Which option will give me the best performance?

Have a nice weekend.

Best wishes,

KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306

Office: (850) 645-1334

More information about the gromacs.org_gmx-users mailing list