Update 27/6/2013 : Please note that Kirill Berezovsky has published a series of posts on GAMESS US, including how to compile it for both CP...

Update 27/6/2013 : Please note that Kirill Berezovsky has published a series of posts on GAMESS US, including how to compile it for both C...

Update 3: 9 May 2013. Fixed a couple of mistakes e.g. related to mpi. I also switched from ATLAS to acml -- when I build with ATLAS a lot o...

Update: you can compile against acml on intel as well, and against mkl on amd. Still need to do some performance testing to see how well it ...