[gmx-users] Help, cannot compile with mpi

Diego Enry diego.enry at gmail.com
Sat Apr 12 20:01:11 CEST 2008

./configure can't find "mpicc". If it was really intalled, so the
location of the binaries is not in the variable $PATH.

find where you installed LAM binaries and put it on $PATH

example for bash, type on terminal:
export PATH=$PATH:/usr/local/lam/bin/

You should put this export line on /etc/bash.bashrc so all users won't
need to use the export command (or type the fill path) everytime they
want to use it..

On Sat, Apr 12, 2008 at 2:19 PM, fabracht sdf <fabracht at gmail.com> wrote:
> I've tried to recompile gromacs, this time i tried to enable mpi so tha t i
> can run in parallel. I did what you advised in my last post. I've checked on
> the gromacs homepage, and tried to find instructions for that. Eventually
> what i did was.
>  In the gromacs directory i typed:
> make distclean
> and then i wrote the command line described below.
> i says it can't compile and link mpi code with cc.
> lam-mpi is already installed, i would really appreciate some help with this
> problem.
>  Thank you
> root at ubuntu-desktop:~/Desktop/gromacs-3.3.3#./configure --enable-mpi
> checking build system type... i686-pc-linux-gnu
> checking host system type... i686-pc-linux-gnu
> checking for a BSD-compatible install... /usr/bin/install -c
>  checking whether build environment is sane... yes
> checking for a thread-safe mkdir -p... /bin/mkdir -p
> checking for gawk... no
> checking for mawk... mawk
> checking whether make sets $(MAKE)... yes
> checking how to create a ustar tar archive... gnutar
>  checking for cc... cc
> checking for C compiler default output file name... a.out
> checking whether the C compiler works... yes
> checking whether we are cross compiling... no
> checking for suffix of executables...
>  checking for suffix of object files... o
> checking whether we are using the GNU C compiler... yes
> checking whether cc accepts -g... yes
> checking for cc option to accept ISO C89... none needed
> checking for style of include used by make... GNU
>  checking dependency style of cc... gcc3
> checking dependency style of cc... gcc3
> checking for mpxlc... no
> checking for mpicc... no
> checking for mpcc... no
> checking for hcc... no
> checking whether the MPI cc command works... configure: error: Cannot
> compile and link MPI code with cc
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Diego Enry B. Gomes
Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.

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