[gmx-users] Re: intel or gcc for opteron

[Myunggi Yi]

Sorry. Here is more information.


GNU C/C++  	3.4.6
Intel C/C++  	10.0.026
and
OpenMPI GNU  	1.2.4
OpenMPI Intel  	1.2.4



On Nov 24, 2007 10:31 AM, Myunggi Yi <myunggi at gmail.com> wrote:
> 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,
>
> MYUNGGI YI
> ==================================
> KLB 419
> Institute of Molecular Biophysics
> Florida State University
> Tallahassee, FL 32306
>
> Office: (850) 645-1334
> http://www.scs.fsu.edu/~myunggi
>



-- 
Best wishes,

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

Office: (850) 645-1334
http://www.scs.fsu.edu/~myunggi