Installing Molden on a 64-bit AMD Opteron Cluster running CentOS 5 Linux

Molden displays molecular density from the ab initio packages GAMESS and GAUSSIAN and others. Molden reads all the required information from the GAMESS / GAUSSIAN outputfile. Molden is capable of displaying molecular orbitals, electron density and molecular minus atomic density. To install, register as a Molden user and download the package tarball, extract (tar xvf molden4.8.tar.gz) into a sensible place (e.g., /usr/local/src/MOLDEN), change to the correct directory and modify the makefile according to the appropriate system parameters. In this case only minimal changes were required i.e.

CC = cc
LIBS =  -lX11 -lm
LIBSG = -L/usr/X11R6/lib -lGLU -lGL -lXmu -lX11 -lm
LDR = ${FC} 

Running make produces a number of binary files and direcories. Copy these into the appropriate directory (e.g., /usr/local/molden/4.8). Note that Molden has expanded over the versions; the ambfor and surf directory should go in bin. Create the environment modules files as usual (e.g., cd /usr/local/Modules/modulefiles/molden, ln -s .base 4.8).