Gameix Script                                                [visitor  ]

For a detailed description see the Gameix Manual.

Script Panels

          Master/main Script   Panel for composing job      Advanced Option panel
     Click figures for size

Please note: Gameix.exe runs under Linux using Windows-API Wine and submits jobs to the original Gamess-US (Linux). The Wine package should preferably be one of the newer ones, starting from version 1.x.x.
Gameix has been tested with SuSE 10.0/10.2, Knoppix Linux-on-the-fly 4.0.2/5.1.1/5.2.0/5.3, Scientific Linux 43/44/50, Damn Small Linux 5.3, Ubuntu-6.10 to 11.04, and others.

Downloads

If you have a running Gamess or can get it from another setup, download the last update of Gameix and concomitant files from the following archive:

gameix.tar.gz: 05-05-2011 (2.0MB)   gameix_md5.txt(60 B).    
This version supports runtype G3(MP2) and other features of Gamess 11 AUG 2011(R1). It does not correctly run Gamess versions older than 24 MAR 2010 (R2). If you have one of those, download and install gameix_old.tar.gz

Gameix is unpacked into ~/gameix. This directory contains all necessary files except the binary GAMESS executable. The Manual gives detailed advice about getting this and how to install and use Gamess-US. The manual is included in the archive. The freeware Dialect.exe, v. 1.16, enables users to refine or edit the source files and recompile Gameix.exe. It can be downloaded from here. With Ubuntu you have to download and install Wine with the following command, using a terminal:
sudo apt-get install wine and later
cp ~/gameix/fonts/* ~/.wine/drive_c/windows/Fonts 
 New Output for MO's: exam02.inp (3-B-1 CH2,opt)

          **** ALPHA SET **** 
  MO #  Irrep   Occ      Eh          eV
   7      B2     0      0.8111     22.0712
   6      A1     0      0.6694     18.2153 Lumo
 -----------------------------------------
   5      B1     1     -0.3410     -9.2791 Homo
   4      A1     1     -0.3931    -10.6968
   3      B2     1     -0.5318    -14.4710
   2      A1     1     -0.8699    -23.6712
   1      A1     1    -10.6088   -288.6803

          **** BETA SET ****
  MO #  Irrep   Occ      Eh          eV
   7      B2     0      0.9002     24.4957
   6      A1     0      0.7460     20.2997
   5      B1     0      0.4021     10.9417
   4      A1     0      0.3288      8.9471 Lumo
 -----------------------------------------
   3      B2     1     -0.4912    -13.3662 Homo
   2      A1     1     -0.6892    -18.7541
   1      A1     1    -10.5559   -287.2408


Here is a screenshot from an optimization of Nickelocene (triplet groundstate, ROHF, TZV(d), D5h) as monitored on a terminal of Ubuntu-8.10, using two CPU's on an SMP box (a Gameix configuration file for Knoppix can be viewed here, one for SuSE 10.0 here):

gameix run

 
2011 Ernst Schumacher, last update 30 August 2011