Many thanks for your prompt and numerous replies concerning my problem
compiling on our IBM SP! I've taken the advice of several correspondents,
and have removed the compilation of ptraj.
Now I have a problem when compiling nmode:
ld: 0711-317 ERROR: Undefined symbol: .dppsv
ld: 0711-317 ERROR: Undefined symbol: .dsyev
which are LAPACK routines. We have IBM's ESSL instead of LAPACK.
Does Amber really require LAPACK? I don't want to have to hunt through the
source code and replace LAPACK calls with ESSL ones :o)
Eric
Dr. Eric Aubanel, Research Associate
Advanced Computational Research Laboratory
Faculty of Computer Science, University of New Brunswick
Phone: (506) 458-7268 ; Fax: (506) 453-3566
http://www.cs.unb.ca/staff/aubanel
Received on Fri Sep 14 2001 - 11:49:46 PDT
