On Wed, Sep 16, 2009, Volodymyr Babin wrote:
> > 1. The fortran versions were the "original" ones, and the C versions are
> > translations. But there should not be any real functional difference. In
> > fact, either can be replaced with other libraries (like MKL or Goto).
>
> IMHO the proper way to go is to offload this to the user and use
> whatever blas/lapack the user wants amber to use.
I think you overestimate the experience and sophistication of many of our
users. People are encouraged to use alternate libraries, and we automatically
support MKL and Goto. But we need some default fallback position, and it
cannot be the instruction "go find your own blas and lapack, install them, and
return here when that is done."
We could/should document better what to do if you want to use alternate
libraries. Or, we could just support other likely candidates, besides MKL and
Goto, in the current fashion.
[I also recognize that I should not ask for advice, then just complain
about what is offered! I do appreciate the feedback.]
...thx...dac
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Sep 17 2009 - 05:00:03 PDT
