PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

As already pointed out by Igor, due to some internal restrictions,
PC GAMESS is limited to approximately 1000 atoms. This limit can
be extended to some degree, however, it is anyway bad idea to run
HF/DFT calculations even with much smaller number of atoms on a
single-CPU workstation - you need to run them in parallel to get
answer in reasonable time.  

Regards,
Alex Granovsky

>>Dear PC Gamess users,
>>I am a new user of PCGAMESS, and I am trying to optimize a large system of about 3600 atoms in a single P4 computer with 4Gb RAM running linux OS and I get *** ERROR, NO MORE THAN 1012 TOTAL ATOMS.

>>does it mean that I need more RAM?
>>Anyone has an idea of what is going on?

>>Thanks a lot
>>Jose A.