----- Forwarded message from Marc Moreau <jebnor.gmail.com> -----
Subject: Re: [AMBER] OpenMP programs
The one area in particular that may need to be updated is in the
Ambertools/src/configure -help output. It implies that -mpi and
-openmp can be used at the same time for sander QM/MM, but are
mutually exclusive in nab. Also src/sander/ifdefs reads that openmp
is experimental which is not mentioned elsewhere.
Just checking with the SDSC guys: are we really saying we support
simultaneous MPI and openMP? Or should we not disable this until we are sure
that it works, and is useful for real problems?
...thx...dac
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Received on Fri Jul 09 2010 - 06:00:16 PDT
