I'm assuming you are talking about amber10 or earlier, since these are the
only instances in which this applies. It does not really matter which you
choose, because you'll have to edit config.h, anyway, I believe. Pick any
that you would like, then change all instances of your fortran compiler to
"mpif90", (which is the F90 variable and the LOAD variable). Also remove
everything from "MPI_LIBS", so it's blank (since mpif90 should take care of
that for you). It may also help to change CC = gcc to CC = mpicc.
Good luck!
Jason
On Fri, Oct 8, 2010 at 4:25 AM, fancy2012 <fancy2012.yeah.net> wrote:
> Dear amber users,
> When I install pmemd of amber using MPI of mvapich2, so how should I choose
> the configure option of MPI? mvapich? Thanks very much!
> All the best,
> fancy
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Oct 08 2010 - 06:30:03 PDT
