Dear Jason Swails,
Thank you for your suggestions! And it works!
All the best,
fancy
At 2010-10-08，"Jason Swails" <jason.swails.gmail.com> wrote:
>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
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
>--
>Jason M. Swails
>Quantum Theory Project,
>University of Florida
>Ph.D. Graduate Student
>352-392-4032
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 08 2010 - 18:30:02 PDT
