hello gromacs users,
I was trying to install gromacs 4.5.5 on the cluster.
the cluster info:
uname -a
Linux mgr.itp 2.6.9-55.0.2.ELsmp #1 SMP Tue Jun 26 14:14:47 EDT 2007 x86_64
x86_64 x86_64 GNU/Linux
I have successfully installed fftw3 and gsl on it.
then I try to install the Gromacs 4.5.5 with the following commad:
export CPPFLAGS="-I$HOME/Software/gsl-1.13/include/gsl
-I$HOME/Software/fftw-3.2.2/include -I/opt/vltmpi/OPENIB/mpi.icc.rsh/include"
export LDFLAGS="-L$HOME/Software/gsl-1.13/lib -L$HOME/Software/fftw-3.2.2/lib
-L/opt/vltmpi/OPENIB/mpi.icc.rsh/lib"
./configure --prefix=$HOME/Software --enable-mpi --with-fft=fftw3 --with-gsl
--enable-double --program-suffix=_mpi
no problem until here.
then:
make
error came up like this:
/usr/include/md5.h(27): error: identifier "UINT4" is undefined
UINT4 state[4]; /* state (ABCD) */
^
/usr/include/md5.h(28): error: identifier "UINT4" is undefined
UINT4 count[2]; /* number of bits, modulo 2^64 (lsb first) */
^
.....
Does anyone know how to solve this problem?
By the I have tried install on my personal computer with the same command,it's
succeed.
Richor
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