Re: [AMBER] Parallel installation of AMBER 11 on MacOSX

From: case <case.biomaps.rutgers.edu>
Date: Mon, 31 May 2010 12:35:38 -0400

On Mon, May 31, 2010, George Tzotzos wrote:
>
> Thanks for the latest instructions to compile MPICH2.
> ./configure -mpi gnu in $AMBERHOME/AmberTools/src works fine
>
> Trying to do a "make parallel" in amber11/src gives the error below
>
> _schlegel_dg_ in schlegel_dg.o

I'm assuming(?) that there were lots of other lines like this one. Seeing the
whole log file (or at least the full link step) would probably help.

In amber11/src/sander, type this: "nm schlegel_dg.o | grep schlegel". This
will help see if you have a double-underscore problem. (It is suspicious
that all the listed missing refs have underscores in the name.)

Also, please report what "which mpif90" and "mpif90 -show" report.

I'm assuming you indeed typed "make clean" prior to typing "make parallel"; if
not be sure to do that.

....dac


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Received on Mon May 31 2010 - 10:00:04 PDT
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