On Fri, Jul 09, 2010, Ross Walker wrote:
>
> As far as I can tell the 'ONLY' mention of this is in the configure help
> output:
>
> -openmp Use OpenMP pragmas to parallelize (not available for pgi;
> only affects NAB and sander QM/MM. For NAB, do not set
> -openmp and -mpi at the same time.)
I've updated the configure help script to this:
-openmp Use OpenMP pragmas to parallelize NAB (not available for pgi).
Do not use -openmp and -mpi at the same time. Type "make
clean; make nabonly" after setting this flag.
This will probably keep people from trying the (only weakly tested)
combination of mpi and openmp for sander QM/MM, pending further developments
(if any) in supporting that sort of option.
I'm open to arguments supporting something different here.
....dac
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Received on Mon Jul 12 2010 - 08:30:05 PDT
