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

[David van der Spoel]

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.
________________________________________________________________________
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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