[gmx-users] Gromacs and MPI

Justin A. Lemkul jalemkul at vt.edu
Tue Feb 17 20:45:54 CET 2009

Ricardo Tosta wrote:
> Hi there!!
> I'm having trouble installing the Gromacs 4.0.3 on SGI Altix Itanium.
> I stopped at the ./configure --enable-mpi command then it gives the error:
> checking build system type... ia64-unknown-linux-gnu
> checking host system type... ia64-unknown-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... gawk
> 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
> I heard about to linking the MPI manually, then I tried the FAQs but... 
> Could someone help me, please?

Probably your environment simply can't find the executables.  Make sure mpicc is 
within your $PATH and try again.


> Thanks,
> Ricardo.
> -- 
> Ricardo Pereira Tosta
> UFABC - Universidade Federal do ABC
> TI - Suporte Comp. Científica UFABC
> Santo André - SP - BR
> ------------------------------------------------------------------------
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


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


More information about the gromacs.org_gmx-users mailing list