[gmx-users] buffer reading error with grompp

[Nicolas]

Hello,

I'm trying to compile Gromacs-4.0.3 on one of our clusters in my local 
directory (the OS is CentOS release 4.2). The compilation only produces 
3 warnings:

    pme.c:964: warning: dereferencing type-punned pointer will break
    strict-aliasing rules
    pppm.c:387: warning: dereferencing type-punned pointer will break
    strict-aliasing rules
    libtool: link: warning:
    `/usr/lib/gcc/i386-redhat-linux/3.4.4/../../..//libxml2.la' seems to
    be moved

When I run the simple gmxtest, grompp produces the following error:

    Source code file: strdb.c, line: 122
    Fatal error:
    Cannot read string from buffer

So, something is wrong, but I can't figure out who is the culprit. Does 
anyone ever face this kind of error? I'm quite puzzled... Note that I 
have previously installed fftw-3.2.1 in my local directory and that I 
have configure the Gromacs installation using the following commands:

    include=$HOME/local/bin/fftw-3.2.1/include
    library=$HOME/local/bin/fftw-3.2.1/lib
    ./configure --prefix $HOME/local/bin/gromacs4-test --without-x
    CC=/usr/bin/gcc CPPFLAGS=-I$include LDFLAGS=-L$library

Thanks,
Nicolas

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