[gmx-users] About Compiler Compatibility for Gromacs 4.6.2 Compilation

[Mark Abraham]

On Nov 10, 2013 10:04 AM, "Mark Abraham" <mark.j.abraham at gmail.com> wrote:

> Yes (unless you are using AMD cpus), per the installation instructions,
> although you will probably do slightly better with GCC 4.7, and should not
> do a new install of 4.6.2 after 4.6.3 is released. In particular, 4.6.2 has
> an affinity-related performance regression when using external MPI
> libraries.
>
> Mark
> On Nov 10, 2013 7:55 AM, "vidhya sankar" <scvsankar_agr at yahoo.com> wrote:
>
>>
>>
>> Dear Justin and Mark Thank you for your Previous reply
>>                 Can i Use the Following Intel  Compiler  for grmacs 4.6.2
>> in centos Linux OS ?
>>
>>      Intel® C++ Composer XE 2013 for Linux
>>
>> it Includes Intel® C++ Compiler, Intel® Integrated Performance Primitives
>> 7.1, Intel® Math Kernel Library 11.0,
>> Intel Cilk™ Plus, the Intel® Threading Building Blocks (Intel® TBB)”
>>
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>