[gmx-developers] Fix for 2 small problems in the cmake for gmx 4.5.5

Szilárd Páll szilard.pall at cbr.su.se
Thu Mar 1 22:13:17 CET 2012

On Thu, Mar 1, 2012 at 9:54 PM, Ake Sandgren <ake.sandgren at hpc2n.umu.se> wrote:
> On Thu, 2012-03-01 at 21:45 +0100, Szilárd Páll wrote:
>> Right, but as far as I know we only have Fortran kernels for IBM BG
>> and I don't know of any other Fortran code. However, someone else
>> shoud pitch in here because I might as well be wrong. Devs, anyone?
>> On the other hand, I myself have compiled with Intel Compiler on
>> Ubuntu and not only and never had problems. Are you using some
>> external libraries except FFTW (BLAS, LAPACK)?
> Oops... yes that might have been the problem here.
> I was using our fortran built lapack with openblas (ACML still sucks on
> bulldozer) which (lapack that is) we at the moment only have static

Btw, ACML: we have a bit of a deprecated support for it and have been
discussing recently about reviving it. Any idea if it's worth the
effort, for instance is ACML ever faster than FFTW?

> versions of...
> I wondered why i hadn't seen it when building it a couple of
> weeks/months ago.
> So ignore that one :-)

At least we figured out quickly! ;)

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