> yesterday, and it is using gcc instead of icc for the C/C++ parts of
> AMBER. Perhaps the code so generated isn't quite as fast but
> if I have
> to choose between a little slower or nothing at all it's quite easy :)
Just a note, using gcc instead of icc (as configure creates by default) can
result in slightly slower code, however, all of the computationally
intensive code in amber is written in Fortran so it is only things like
xleap and ptraj that will run slightly slower and since these are not
generally compuationally intensive codes you shouldn't notice the difference
too much.
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
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Received on Fri Oct 15 2004 - 08:53:01 PDT
