Gamess-US: automatic compilation on a Knoppix live Linux system

Procedure 1 using KNOPPIX

We start on a Windows or a Linux box with the live Linux system KNOPPIX running from DVD. This has been tested in 32-bit i386 and AMD64 (x86-64) operating systems. Download and burn the DVD which has the necessary libraries:

Knoppix live DVD

KNOPPIX_V5.1.1DVD-2007-01-04-EN(or DE).iso or later versions (5.2 and 5.3,
but not 6.1, see procedure 1a)

Now, get gamess-current.tar.gz or gamess-current.tar.Z (you need a password) from Gamess-US.
Save it in /home/$USER.
If you plan to use the Gamess extensions for VB calculations VB2000, get vb2000v18R3.tar.gz (or a newer version) form Scinetec (you need ID and password). Save it in /home/$USER, too.

If you later want to run Gamess from the Gameix script, switch now to the Gameix page. Otherwise ...

Download and save one of the following scripts in /home/$USER:
- for Gamess 12 JAN 2009 (R1 and higher) gamessmake64.csh
- the same but including NEO, Tinker, VB2000 modules gamessmake64ntv.csh
- for older Gamess versions gamessmake_old.csh, for target linux-pc down to 25 JUN 2001 .

Overview: Running gamessmake automatically unpacks the Gamess distro, edits all required scripts from the Gamess-US distribution to reflect your environment, downloads Tinker, if gamessmake64ntv is used, and, finally, actvte.x, ddikick.x, gamess.00.x are made using gcc and gfortran (V.4.1.1 or newer) compilers. To test the execs all examXX.inp are run and results checked.

Now, do this:
Knoppix DVD: In /home/knoppix type gamessmake64.csh 32 (or gamessmake64ntv.csh, 32 for 32 bit target). If the script does not start, make it executable with chmod +x gamessmake64.csh and start again. No further interaction is necessary!

In about 20 min ddikick.x and gamess.00.x are made and Checktst tells you: All 44 (or 43, 42 with earlier Gamess releases) test results are correct. Congratulations! your new Gamess works. Here's a summary of a live session with gamessmake64ntv.csh 32 on a Dell Dimension 3000 (2004), and here on a AMD Athlon 64 X2 as 32 bit target, using the environment of the new Knoppix 5.3 edition.
Note that the software complement of Knoppix cannot compile a 64 bit gamess target (even with the atlas 64-bit library; however, a 32 bit exec runs without problems on a 64 bit machine).

Return to main page of Gamess compilations.