[gmx-users] Parallel compilation error

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 23 23:10:57 CEST 2008

Ragnarok sdf wrote:
> I've been trying to install gromacs with parallel support. I've 
> installed the lammpi package, than fftw 3.1.2 libraries. Lamboot seems 
> to work fine, but when i type
> # ./configure --enable-mpi
> the following error appears
> 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
> I've already installed gromacs on a similar system with openSUSE 10, and 
> had some problems with that but everything came out right in the end.
> I would apprecciate any suggestion on the matter.

It looks like you need to install an MPI implementation, or otherwise point your 
environment to where the compilers and libraries are located.


> Thank you in advance
> Fabrício Bracht
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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