[gmx-users] mpi, myrinet and configure

David van der Spoel spoel at xray.bmc.uu.se
Fri Aug 6 10:37:20 CEST 2004

On Thu, 5 Aug 2004, Patricia Soto Becerra wrote:

>Hi gmx-users!
>I am having troubles installing gromacs with mpi in a new cluster (the
>cluster has GM/Myrinet libraries). I have searched the list and I found
>tips that have helped me but at this point I do not know what else I could
>So these are the environments I have set:
>setenv CPPFLAGS -I/opt/mpich-gm/include
>setenv LDFLAGS -L/opt/mpich-gm/lib
>setenv MPICC cc
>And then I try ./configure --enable-mpi and everything works fine until I
>get the message:
>checking whether the MPI cc command works... configure: error: Cannot
>compile and link MPI code with cc

If you don't have a real mpicc command you have to add the library to the 
setenv LDFLAGS "-L/opt/mpich-gm/lib -lmpi"

you might need other libraries too.

Isn't there a mpicc command in /opt/mpich-gm/bin ?
In that case you may want to add that to your path and remove the setenv 

>Does anybody have any idea/hint/suggestion how to solve this? 
>Dr. Patricia Soto
>Post-doctoral Researcher
>Department of Chemistry and Biochemistry
>University of California, Santa Barbara CA 93106 - 9510 
>United States
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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