[gmx-users] Gromacs compilation on AMD multicore

[Matthew Zwier]

Sorry about that.

The default options are nearly optimal, and the difference between a
modern (4.4 or 4.5) series GCC and the Intel compilers are only a
couple of percent.  Just be sure to have FFTW available.

On Tue, Jul 5, 2011 at 10:26 AM, Matthew Zwier <mczwier at gmail.com> wrote:
> Hi Anthony,
>
> The default options are nearly optimal, and the difference between a
> modern (4.4 or 4.5) GCC
>
> On Tue, Jul 5, 2011 at 10:01 AM, Anthony Cruz Balberdi
> <anthony.cruz5 at upr.edu> wrote:
>> Dear Users:
>>
>> We recently received our new computer.  This computer have 4 multicore
>> Opteron AMD cpus and I am planning to install GROMAS. Which options I will
>> need to use in order to achieve the best possible performance?
>> Which compiler GNU or Intel?
>>
>> Thank you for all you help.
>>
>> Anthony
>>
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>