Hi,
I was finally able to get my MPI GROMACS running on my laptop. Thanks for all
those who have provided invaluable suggestions.
Best,
Simon Sham
--- On Mon, 9/27/10, simon sham <ssha...@yahoo.com> wrote:
From: simon sham <ssha...@yahoo.com>
Subject: MPI and dual-core laptop
To: gmx-users@gromacs.org
Date: Monday, September 27, 2010, 11:42 AM
Hi,
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.
Questions:
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.
Best,
Simon Sham
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