[gmx-users] Gromacs-mpi with Rocks v4.0

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 15 09:56:08 CEST 2006

Arneh Babakhani wrote:
> Hi Francisco, was wondering if you ever resolved this issue?  I too am 
> trying to install gromacs mpi on our cluster, but have had no luck.  I 
> get the following error in the configure step:
> [ababakha at chemcca40 gromacs-3.3.1]$ ./configure --enable-mpi 
> --prefix=/home/ababakha/gromacs-3.3.1
> checking build system type... i686-pc-linux-gnu
> checking host system type... i686-pc-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 $(MAKE)... yes
> checking how to create a ustar tar archive... gnutar
> checking for cc... cc
> checking for C compiler default output file name... a.out
> checking whether the C compiler works... yes
> checking whether we are cross compiling... no
> checking for suffix of executables...
> checking for suffix of object files... o
> checking whether we are using the GNU C compiler... yes
> checking whether cc accepts -g... yes
> checking for cc option to accept ANSI C... none needed
> checking for style of include used by make... GNU
> checking dependency style of cc... gcc3
> checking for mpxlc... no
> checking for mpicc... mpicc
> checking whether the MPI cc command works... yes
> checking how to run the C preprocessor... mpicc -E
> checking whether mpicc accepts -O3... yes
> checking whether mpicc accepts -malign-double... yes
> checking whether mpicc accepts -funroll-all-loops... yes
> checking whether mpicc accepts  -O3 -fomit-frame-pointer 
> -finline-functions -Wall -Wno-unused -malign-double 
> -funroll-all-loops... yes
> checking whether byte ordering is bigendian... no
> checking for egrep... grep -E
> checking for ANSI C header files... no
> checking for sys/types.h... yes
> checking for sys/stat.h... yes
> checking for stdlib.h... yes
> checking for string.h... yes
> checking for memory.h... yes
> checking for strings.h... yes
> checking for inttypes.h... yes
> checking for stdint.h... yes
> checking for unistd.h... yes
> checking for int... yes
> checking size of int... configure: error: cannot compute sizeof (int), 77
> See `config.log' for more details.
> [ababakha at chemcca40 gromacs-3.3.1]$
So what does config.log tell you? Which test program does not compile?

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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