Consider this blog post as an update to the last post where I talked about building Gamess. Gamess, if built like I demonstrated does not support distributed parallel computing on multiple nodes. However you can easily distribute your computation over several cores on your multicore single socket CPU, i.e. multiple CPUs on one local node (in Gamess terminology). This is unfortunately not enabled by default but you can easily get this feature by simply editing a few lines in your /gamess/rungms file. Here are the lines you need to comment or add to your rungms script:
# if ($NCPUS == 1) then
# set NNODES=1
# set HOSTLIST=(`hostname`)
# echo I do not know how to run this node in parallel.
# exit 20
(I strongly recommend to make the "rungms" script globally available by creating a link to /usr/local/bin/ like in "sudo ln -s /home/user/gamess/rungms /usr/local/bin" this way you can adress the rungms script from within every directory without providing the full path.)
After editing, you can invoke multiple cores by typing "rungms job.inp 00 7 > job.log &" where "00" is the current build you are using and "7" is the number of cores among which the computation shall be distributed. "job.inp" is your input file in this case.