Hi,
On Tue, Jan 29, 2013 at 09:09:51PM -0500, David A Case wrote:
> On Tue, Jan 29, 2013, Scott Brozell wrote:
> >
> > How can one build amber12 nab with OPENMP while preserving serial nab ?
>
> I never thought this was needed. If you set OMP_NUM_THREADS to 1, you get
> behavior that is the same as serial nab. (All the openmp stuff is really in
> sff, but that's a technicality.)
I am skeptical that it is as simple as you write.
Can you guarantee that dozens of users won't find a way to shot themselves ?
Suppose one had installed on supercomputer center computers amber12
(serial, mpi, cuda pmemd's {10 pmemd executables total}) but not openmp stuff.
And then a user requests openmp nab. The manual indicates that the openmp
executables will have the same name not that they cannot coexist.
So the manual should be more explicit.
> [Should these questions be directed to Amber-developers rather than the
> general list?]
Why wouldn't users know or want to know about this ?
It seemed obvious to search the reflector when the obvious installation
attempt failed. Maybe this post will warn other users.
scott
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Received on Tue Jan 29 2013 - 23:30:03 PST
