GAMESS June 2005 Binaries

Available binaries

Architechture Operating system Compiler Files
Intel Itanium (ia64) RedHat Enterprise
Linux 2.4		 Intel C/FORTRAN 8.1 gamess-ia64-june-2005.rpm
Intel Pentium III and above RedHat Enterprise
Linux 2.4		 GNU C/FORTRAN 3.2.3 gamess-ia32-june-2005.rpm
SUN SPARC v9 SunOS 5.9 sun4u SUN FORTRAN 95 v7.1/SUN C v5.1 gamess-sunsparcv9-june-2005.tgz

INSTRUCTIONS
The scripts provided allow you to run gamess either interactively or through SGE. For linux clusters, no files have to be edited.

For the SUN installation, edit the files "rungms" and "gamess" to point to the directory where gamess is installed:

  1. Edit the "gamess" file (located in the root directory of the gamess installation)
    1. change the line "default=/work/jpg/gamess" (line 7) to the path where gamess has been installed.
  2. Edit the "rungms" file (located in the root directory of the gamess installation)
    1. change the line "setenv ERICFMT /work/jpg/gamess/ericfmt.dat" (line 107) to the path of the "ericfmt.dat" file (it is in the root path of the gamess installation).
    2. change the line "setenv MCPPATH /work/jpg/gamess/mcpdata" (line 108) to the location of the "mcpdata" directory (it is below the root path of the gamess installation).
    3. change the line " if ($os == SunOS) set GMSPATH=/work/jpg/gamess" (line 287) to the root path of the gamess installation. Its also useful to have GMSPATH set in your environment (see below).

To run interactively on a single processor (on linux):
/opt/gamess/bin/rungms file_prefix 00 1 2>&1 > file_prefix.out

To run interactively (on SUN):
$GMSPATH/rungms file_prefix 00 1 >& file_prefix.out

where "file_prefix" is the file prefix of the gamess input file "gamess_prefix.inp"

To run through the queue, run the script "gamess" (/opt/gamess/bin/gamess on linux or $GMSPATH/gamess on sun's).
At the prompt, type:

gamess -n PROCS file_prefix

where PROCS is the number of gamess processes you want.