On Mon, May 24, 2010, Aurora Clark wrote:
>
> I have read through the archives and followed the instructions posted for
> compiling Amber10 on Mac running Snow Leopard (10.6) using gcc/gfortran,
> but am running into an undefined symbols error when compiling just the
> serial version of Amber10 (ambertools 1.4 and 1.3 compiled just fine).
Note that Amber10 requires you to have AmberTools1.2 (which you can download
from the Amber web site). Both AmberTools 1.2 and Amber10 should be extracted
under the amber10 tree. Don't try to use AmberTools 1.3 or 1.4 with Amber 10.
> Undefined symbols:
> "_ambsecond_", referenced from:
> _dsaupd_ in lmod.a(dsaupd.o)
_ambsecond_ should be in ../lib/sys.a. You can type "nm sys.a | grep second"
in amber10/src/lib to see what might be happening.
>
> Note that I had to modify the Makefile in /sander because it was pointing to
> the wrong path for lapack.a and blas.a, as when the lapack and blas
> subdirectories get compiled the .a files get moves to the amber11/lib
> directory.
This sounds dangerous, maybe a result of combining the wrong versions of
Amber10 and AmberTools?
[If you can, consider getting Amber11 -- a lot of Mac related things are much
more straightforward now. OSX 10.6 was released after amber10 but before
amber11, so we could address many issues.]
....dac
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Received on Mon May 24 2010 - 11:00:05 PDT
