Re: [AMBER-Developers] MPI_HOME

From: Scott Brozell <>
Date: Wed, 2 Mar 2011 02:41:23 -0500


On Mon, Feb 28, 2011 at 12:17:28PM -0500, Tyler Luchko wrote:
> Is the MPI_HOME environment variable necessary in the configure script? It appears that it is only used to add a directory to the include path. However, MPI compilers should know where the MPI headers are. Setting MPI_HOME=. works for me though I have not tried building CUDA PMEMD nor compiling on a Cray XT5.

It is also used in pmemd_cu_includes.
Note that MPI_HOME=. is not a good test since some mpif90, etc's,
make symbolic links to the current directory:
$ ~/amber/qa/amber mpif90 -show
ln -s /usr/local/mpi/mvapich-1.1-fixes-pgi/include/mpif.h mpif.h
pgf90 -noswitcherror -fPIC -L/usr/lib64 -Wl,-rpath-link -Wl,/usr/local/mpi/mvapich-1.1-fixes-pgi/lib/shared -L/usr/local/mpi/mvapich-1.1-fixes-pgi/lib/shared -L/usr/local/mpi/mvapich-1.1-fixes-pgi/lib -lmpichf90nc -lmpichfarg -lmpich -L/usr/lib64 -Wl,-rpath=/usr/lib64 -libverbs -libumad -lpthread -lpthread -lrt
rm -f mpif.h

I'm attempting more testing, but it would be nice to hear from the
pmemd cuda people.


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Received on Wed Mar 02 2011 - 00:00:02 PST
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