[gmx-users] fftw compile error for 4.6.2

Szilárd Páll szilard.pall at cbr.su.se
Thu Jul 4 17:52:18 CEST 2013


FYI: 4.6.2 contains a bug related to thread affinity setting which
will lead to a considerable performance loss (I;ve seen 35%) as well
as often inconsistent performance - especially with GPUs (case in
which one would run many OpenMP threads/rank). My advice is that you
either use the code from git or wait for 4.6.3.

Cheers,
--
Szilárd


On Thu, Jul 4, 2013 at 11:23 AM, Albert <mailmd2011 at gmail.com> wrote:
> On 07/04/2013 11:18 AM, Mark Abraham wrote:
>>
>> No idea. I do not think there is any need for you to use
>> BUILD_SHARED_LIBS=OFF, and it could well be the problem.
>>
>> Mark
>
>
> thank you all the same.
>
> I found the problem, there is a subdirectory in cuda5.0:
>
> /export/cuda5.0/cuda
>
> the problem solved after I redirect the path into above path.
>
> best
> Albert
>
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