[gmx-users] MPI and dual-core laptop

simon sham ssham44 at yahoo.com
Mon Sep 27 20:42:27 CEST 2010

I wanted to test the GROMACS MPI version in my dual-processors laptop. I have installed openmpi 1.4.2 version. However, when I tried to configure GROMACS 4.5.1 with --enable-mpi option, I got the following configuration problem:

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

mpicc is in my /usr/local/bin directory.

1. Can I run GROMACS 4.5.1 in a dual-processor laptop?
2. If yes, how should I configure the software?

Thanks in advance for your insight.


Simon Sham

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