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<DIV>Dear users:</DIV>
<DIV> </DIV>
<DIV>I have successfully installed fftw2.1.3 and single version Gromacs3.3 on
IBM powerpc Aix5.2.0.0 with the following environmental variables:</DIV>
<DIV> </DIV>
<DIV>setenv CC xlc<BR>setenv MPICC mpcc<BR>setenv F77 xlf<BR>setenv CXX
xlC<BR>setenv CPPFLAGS -I.../fftw_213/include<BR>setenv LDFLAGS
-L.../fftw_213/lib<BR>setenv CFLAGS "-O3 -qarch=pwr4 -qtune=pwr4 -qansialias
-w"<BR>setenv FFLAGS "-O3 -qarch=pwr4 -qtune=pwr4 -qansialias -qstrict
-w"<BR></DIV>
<DIV>Now, I would like to compile the parallel version of Gromacs3.3, and I did
it as the follows:</DIV>
<DIV>1. make disclean; </DIV>
<DIV>2. ./configure --prefix=$HOME/gromacs33 --exec-prefix=$HOME/gromacs33
--enable-float --disable-fortran --disable-largefile --without-x
--disable-<BR>vectorized-sqrt --with-fft=fftw2 --enable-mpi
--program-suffix=_mpi</DIV>
<DIV> </DIV>
<DIV>It is worthy noting that the all parameters for ./configure are the same as
perviously successful single version, except that "--enable-mpi
--program-suffix=_mpi" is added in compiling MPI version. However, compilation
can not pass because of the following reason. If anybody encountered such an
error, could you give me some suggestion? How to deal with it? Any help will be
extermely appreciately.</DIV>
<DIV> </DIV>
<DIV>...</DIV>
<DIV>...</DIV>
<DIV>checking for style of include used by make... GNU<BR>checking dependency
style of xlc... none<BR>checking for mpxlc... mpcc<BR>checking whether the MPI
cc command works... yes<BR>checking how to run the C preprocessor... mpcc
-E<BR>******************************************<BR>* Using CFLAGS from
environment variable *<BR>******************************************<BR>checking
whether byte ordering is bigendian... yes<BR>checking for egrep... grep
-E<BR>checking for ANSI C header files... no<BR>checking for sys/types.h...
yes<BR>checking for sys/stat.h... yes<BR>checking for stdlib.h...
yes<BR>checking for string.h... yes<BR>checking for memory.h... yes<BR>checking
for strings.h... yes<BR>checking for inttypes.h... yes<BR>checking for
stdint.h... yes<BR>checking for unistd.h... yes<BR>checking for int...
yes<BR>checking size of int... configure: error: cannot compute sizeof (int),
77<BR>See `config.log' for more details.</DIV>
<DIV> </DIV>
<DIV><BR>Xie Yinghong</DIV>
<DIV>Hong Kong University</DIV></BODY></HTML>