[gmx-users] error compiling gromacs with mpi

Marcin Wojciechowski nitramus at hypnos.chem.pg.gda.pl
Mon Dec 16 12:15:36 CET 2002

On Mon, 16 Dec 2002, Ruben Martinez Buey wrote:

> Hi,
> I am trying to compile a parallel version of GROMACS on a SG Origin
> 3800. FFTW libraries compiles with mpi without problems,
> but gromacs leads to the next error:
>          ./configure --enable-mpi --prefix=/r1/cicyt/e4149/gromacs
> checking build system type... mips-sgi-irix6.5
> checking host system type... mips-sgi-irix6.5
> checking for a BSD compatible install... /r1/g98/bsd/install -c
> checking whether build environment is sane... yes
> checking for awk... awk
> checking whether make sets ${MAKE}... yes
> checking for cc... cc
> checking for C compiler default output... a.out
> checking whether the C compiler works... yes
> checking whether we are cross compiling... no
> checking for executable suffix...
> checking for object suffix... o
> checking whether we are using the GNU C compiler... no
> checking whether cc accepts -g... yes
> checking for style of include used by make... GNU
> checking dependency style of cc... sgi
> checking for f77... f77
> checking whether we are using the GNU Fortran 77 compiler... no
> checking whether f77 accepts -g... yes
> 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

	try unset environmental variables pointing to MPI libs if You set
them for FFTW. I had the same problem and when i unset env vars after
compiling FFTW, Gromacs found MPI libs itself. Also read guide for
instaling gromacs with MPICH (how-to's in www.gromacs.org)

Regards, Martin.

> Thanks in advance,
> Cheers,
> Ruben
> --
> ___________________________________________
> Rubén Martínez-Buey. PhD student
> Protein Function and Structure Dept. Lab. 352
> Centro de Investigaciones Biológicas (CIB-CSIC)
> C/ Velázquez, 144  28006  MADRID
> Tlf: +34-91-561 18 00 ext. 4380
> ___________________________________________

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