[gmx-users] GROMACS in parallel

Akshay Patny akshay17 at olemiss.edu
Wed Jun 14 22:33:11 CEST 2006

Dear Sir


I am trying to install GROMACS. I have tried to install program and it goes
through okay. However, when I try to compile the program in parallel using
the -enable-mpi option, it gives me an error: "Cannot compile and link MPI
code with cc"


See below for the command and the error.


Can you suggest what I can do to fix the same?


redwood r0914/gromacs-3.3.1> ./configure --prefix=/ptmp/r0914/gromacsp


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 gawk... gawk

checking whether make sets $(MAKE)... yes

checking how to create a ustar tar archive... cpio

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 ANSI C... none needed

checking for style of include used by make... GNU

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







Akshay Patny

Graduate Research Assistant
Faser Hall 417, Department of Medicinal Chemistry

Research Institute of Pharmaceutical Sciences
University of Mississippi
University, MS 38677
E-mail: akshay17 at olemiss.edu
Tel: 662-915-1286 (office); Web: www.olemiss.edu 


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