Wednesday, June 07, 2006

Single thread AMBER 9 with Absoft Pro Fortran

Basically AMBER 9 compiles perfectly with Absoft Pro Fortran (my evaluation copy is version 9.2), you can just launch:

% ./configure -nopar absoft
% make serial
The binaries generated from here passed most of the test under amber9 except noesy related tests and antechamber tests. These two can be problematic even in other compilers, so I'll leave it there for now. If anyone has any further problem, just post in the amber user mailing list.