OS/2 Specific Note: large files support
Linux Specific Note: output files
Command Line Options
PC GAMESS/Firefly input preprocessing sample. Note you should run it using pcgamess -i Mn-QDPT-sex.inp command.
64-bit processing support
Fast Matrix diagonalization and Inversion
Spherical Basis Functions
Fast Two-electron Integral Code
Additional comments on Two-electron Integral code selection
Quantum Fast Multipole Method
Density Functional Theory
Configuration Interaction Singles
Time-dependent Hartree-Fock
Time-dependent DFT
Guidelines for large-scale CI, Multi-Configuration SCF, and QDPT
Multi-Configuration Quasi-Degenerate Perturbation Theory
Extended Multi-Configuration Quasi-Degenerate Perturbation Theory (XMCQDPT)
New MP2 gradient code documentation
Potential Energy Surface scans
PC GAMESS/Firefly' NBO code
Cube Files
Multicore, SMP and HTT support
P2P Parallel Mode Communication Interface, Dynamic Load Balancing, and large-scale MP2 Energy code
Parallel Linux Instructions: list of supported MPI implementations
Parallel Linux Instructions: MPICH
Parallel Linux Instructions: LAM/MPI
Parallel Windows Instructions: read this first!
Parallel Windows Instructions: NT-MPICH-SMP
Parallel Windows Instructions: NT-MPICH
Parallel Windows Instructions: MPICH.NT
Parallel Windows Instructions: WMPI v. 1.3
Interesting observations by one of the PC GAMESS users on I/O optimization for some types of jobs