<p>I'm trying to get Gromacs installed on our systems, but I've been running into one error after another. We are running CentOS5 x86-64 with all the latest updates.<br></p><p>I've got the following packages downloaded<br>
lam-7.1.4<br>fftw-3.2<br>gsl-1.11<br>gromacs-4.0<br></p><p>I installed them in the following order with the following commands:</p><p>cd lam-7.1.4 && ./configure && make && make install<br>cd ../fftw-3.2 && ./configure --enable-float && make && make install<br>
cd ../gsl-1.11 && ./configure && make && make install<br>cd ../gromacs-4.0 && ./configure --enable-mpi && make && make install && make links<br></p><p>I've got two problems when I try to run an MPI-based simulation. First, the system complains that libgslcblas.so.0 is missing. Searching for this finds that it has been installed in /usr/local/lib. 'ldconfig -p' doesn't show the library installed, and from what I understand, the library should be installed in /usr/local/lib64.<br>
</p><p>Secondly, shouldn't the configure option of '--enable-mpi' create an executable named mdrun_mpi? I have used this in previous installations, but it doesn't seem to have been compiled.</p><p></p><p>Any help would be greatly appreciated.</p>
<p>Cheers,<br>-Nicholas Geraedts<br></p>