[gmx-users] Blue Gene compilation error "cannot compute sizeof (int) 77

[David van der Spoel]

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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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