On Thu, 7 Mar 2013, Szilárd Páll wrote:
On Thu, Mar 7, 2013 at 2:02 PM, Berk Hess wrote:
Hi,
This was only a note, not a fix.
I was just trying to say that what linear algebra library you use for
Gromacs is irrelevant in more than 99% of the cases.
But having said that, the choice of librar
On Thu, 7 Mar 2013, Berk Hess wrote:
Hi,
Note that the linear algebra in Gromacs is limited to eigenvalue solving in two
analysis tools,
the MD engine does not use any (large) linear algebra.
So linear algebra library performance is irrelevant, except for the cases where
users
would want t
On Wed, 6 Mar 2013, Christoph Junghans wrote:
I had a another look at the issue and I guess cmake's blas detention
is a bit flaky, when it comes to static libraries.
You are using liblapack.a, which has no link information, with
liblapack.so it should have worked.
Anyhow, thanks for reporting th
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