[gmx-users] error while compiling gromacs 4.0.2

Andrei Neamtu neamtuandrei at gmail.com
Thu Dec 4 16:59:51 CET 2008

try to add in your .bashrc this

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/openmpi-1.2.8/lib

or whatever your mpi lib directory is


On Thu, Dec 4, 2008 at 12:08 PM, Ragothaman Yennamalli
<ymr79in at yahoo.co.in> wrote:
> Dear all,
> While compiling gromacs 4.0.2 in a AMD 64bit dual processor system, I encounter the following error while configuring:
> checking size of int... configure: error: cannot compute sizeof (int)
> See `config.log' for more details.
> Please let me know where I have gone wrong. I am pasting the entire messages below:
> [nsrao at dragon gromacs-4.0.2]$ ./configure --enable-mpi --enable-float
> checking build system type... x86_64-unknown-linux-gnu
> checking host system type... x86_64-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... mpicc
> checking whether the MPI cc command works... yes
> checking for catamount... no
> checking how to run the C preprocessor... mpicc -E
> checking whether mpicc accepts -O3... yes
> checking whether mpicc accepts -funroll-all-loops... yes
> checking whether mpicc accepts  -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops... yes
> checking for grep that handles long lines and -e... /bin/grep
> checking for egrep... /bin/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 whether byte ordering is bigendian... no
> checking for int... yes
> checking size of int... configure: error: cannot compute sizeof (int)
> See `config.log' for more details.
> Thanks in advance,
> With Kind Regards,
> Ragothaman
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