[gmx-users] SSE4 → AVX2

[Mark Abraham]

Sorry, second link should have been
http://www.gromacs.org/Documentation/Installation_Instructions?highlight=install+guide#using-cmake-command-line-options


On Wed, Aug 27, 2014 at 11:57 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Assuming your compiler is up to the job (which it is if you followed the
> install guide and got a recent compiler),
>
> cmake -DGMX_SIMD=AVX_256
>
> See
> http://www.gromacs.org/Documentation/Installation_Instructions?highlight=install+guide#simd-support
> and
> http://www.gromacs.org/Documentation/Installation_Instructions?highlight=install+guide#TOC
>
> (Same for 4.6, but the option is named differently, so
> -DGMX_CPU_ACCELERATION=AVX_256)
>
> Mark
>
>
> On Wed, Aug 27, 2014 at 10:44 AM, nicola staffolani <
> n.staffolani at unitus.it> wrote:
>
>> Dear Gromacs users & developers,
>>
>> my computer tells me that, if I'd use AVX_256 instead of SSE4, then my
>> simulations would be done much faster. Which changes in which files do I
>> have to do in order to achieve this? I have serched the mailing list but
>> couldn't find the explicit answer: I warn you that I am not so much of a
>> geek, therefore suggesting me, for example, to change the path, without
>> telling me which precise actions I have to carry on (for example, as
>> already said, which lines I have to change/add in which file) in order to
>> achieve this, will only generate the next email from my side and then,
>> since by then you will have already started answering me, you will lose
>> more time answering me back than if you would have precisely described in
>> the first reply the order of precise actions needed to be done in order to
>> achieve the goal ;)
>>
>> Thank you for helping and have a nice day/night, ​
>>
>> ​Nicola​
>> --
>> Nicola Staffolani PhD
>> Biophysics & Nanoscience Centre CNISM <http://www.unitus.it/biophysics>
>> Università della Tuscia
>> Largo dell'Università s.n.c., I-01100 Viterbo
>> email: n.staffolani at unitus.it
>> tel.: +39 0761 35 70 27; fax: +39 0761 35 71 36
>> --
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>
>