Mike Hanby wrote:
Howdy,
I'm getting an error while running configure for Gromacs 3.3.1 on Blue Gene.
checking size of int... configure: error: cannot compute sizeof (int), 77
I've searched the archives but haven't found anything that resolves the
problem.
I'm cross compiling this on the front end node (ppc64 bit system running
SLES9) for the Blue Gene using the XL compilers.
Here is the script I'm using to invoke the configure command, any
suggestions (maybe I need to use the -build flag, but I'm not sure what
to use there):
#!/bin/bash
# FFTW Location: /gpfs_data/apps/fftw/3.1.2/fftw-3.1.2-s
# Gromacs Install Location:
/gpfs_data/apps/gromacs/3.3.1/gromacs-3.3.1-fftw_3.1.2
export CC=blrts_xlc
export F77=blrts_f77
export CXX=blrts_xlc++
export FC=blrts_f77
export F90=blrts_f90
export CCFLAGS="-03 -qarch=440 -qtune=440"
export CXXFLAGS="-03 -qarch=440 -qtune=440"
export F77FLAGS="-03 -qarch=440 -qtune=440"
export CPPFLAGS="-I/gpfs_data/apps/fftw/3.1.2/fftw-3.1.2-s/include"
export LDFLAGS="-L/gpfs_data/apps/fftw/3.1.2/fftw-3.1.2-s/lib
-L/usr/X11R6/lib"
export C_LIBS="-L/gpfs_data/apps/fftw/3.1.2/fftw-3.1.2-s/lib
-L/usr/X11R6/lib -L/bgl/BlueLight/ppcfloor/bglsys/lib -lmpich.rts
-lmsglayer.rts -lrts.rts -ldevices.rts"
export C_INCLUDES="-I/bgl/BlueLight/ppcfloor/bglsys/include
-I/gpfs_data/apps/fftw/3.1.2/fftw-3.1.2-s/include"
export F77_LIBS=" -L/bgl/BlueLight/ppcfloor/bglsys/lib -lmpich.rts
-lmsglayer.rts -lrts.rts -ldevices.rts"
export F77_INCLUDES="-I/bgl/BlueLight/ppcfloor/bglsys/include "
export CXX_LIBS=" -L/bgl/BlueLight/ppcfloor/bglsys/lib -lcxxmpich.rts
-lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts"
export CXX_INCLUDES="-I/bgl/BlueLight/ppcfloor/bglsys/include "
cd /gpfs_data/home/root/tmp/gromacs/gromacs-3.3.1
./configure MPICC=mpixlc --host=powerpc --disable-ppc-altivec
--enable-mpi --program-suffix=_mpi_s
--prefix=/gpfs_data/apps/gromacs/3.3.1/gromacs-3.3.1-fftw_3.1.2
Since you are using MPI you may have to set another variable for the
compiler, like MPICC and possible MPIF77. Since we're not using C++ or
F90 in any case you can throw these out. In addition since you're not
using fortran on the configure line that F77 can also be thrown out.
Finally you may want not to compile x windows (--without-x or something
like that).
--
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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