[gmx-users] Gromacs and MPI

Ricardo Tosta ricardo.tosta at ufabc.edu.br
Tue Feb 17 20:42:38 CET 2009

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?


Ricardo Pereira Tosta
UFABC - Universidade Federal do ABC
TI - Suporte Comp. Científica UFABC
Santo André - SP - BR
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