[gmx-users] MPI Compilation of GROMACS

Xiang(Simon) WANG simwang at chem.ufl.edu
Fri Feb 8 08:37:05 CET 2002

Hi, Dear GMX Users:

I am trying to compile GROMACS with --enable-mpi on a SGI Onyx2 IRIX 6.5
machine. The fftw-2.1.3 --enable-mpi compilation was OK by linking w/

setenv CPPFLAGS '-I/user2/amy/mpich-1.2.3/include'
setenv LDFLAGS '-L/user2/amy/mpich-1.2.3/lib'
setenv LDADD -lmpi

However the GROMACS with --enable-mpi configure reported error:

checking whether the MPI cc command works... configure: error: Cannot
compile and link MPI code with cc

Please give me any suggestions. Also Is there a way to use the the SGI
Message Passing Toolkit (MPT) for GROMACS compilation?

Thanks in advance.


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