[gmx-users] Compiling gromacs with MPI

[David van der Spoel]

On Sat, 8 Dec 2001, Jithesh P.V. wrote:

>Hi,
>
>I'm trying to compile Gromacs3 to run in parallel
>using MPI. We have Sun HPC MPI and Public domain MPICH
>on the machine. How do I tell the configure script to
>use MPICH instead of SUNMPI ?
probably by setting environment variables
setenv CPPFLAGS /usr/local/mpich/include
setenv LDFLAGS  -L/usr/local/mpich/lib

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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