Gamess-US: automatic compilation on a MicroKnoppix-CD/DVD Linux system

Procedure 1a using Knoppix-V6.0.1 CD (ADRIANE-1.1), or V6.1 DVD, x86

We start on a Windows or a Linux box with Knoppix-6.0.1 running from CD, or Knoppix 6.1 running from DVD. It has been tested on a Windows P4/x86 and on a dual core AMD64 (x86_64) box. Download and burn the CD.
Knoppix_V6.0.1CD-2009-02-08-EN.iso Knoppix-6.0.1 (or later)  645 MB
Knoppix_V6.0.1-ADRIANE_V1.1CD-2009-02-08-EN.iso Knoppix-6.0.1-ADRIANE  645 MB; this version can be navigated by acoustical control for visually handicapped users.
Knoppix_V6.1-DVD-2009-02-03Knoppix-6.1 (c't magazine, Nr. 9, 2 March 2009)

Start Knoppix from the CD or 6.1-DVD.
Now, get gamess-current.tar.gz or gamess-current.tar.Z (you need a password) from Gamess-US.
Save it in /home/$USER.

Download and save the following script in /home/$USER:
- for Gamess 12 JAN 2009 (R1,R3) knopxgam, for target linux32


Overview: Running knopxgam automatically updates for all necessary programs and libraries, incl. libblas from Atlas. Then it starts the gamessmake64 script. This unpacks the Gamess distro, edits all required scripts from the Gamess-US distribution to reflect your environment, and, then builds actvte.x, ddikick.x, and gamess.00.x. To test the execs all examXX.inp are run and results checked. Finally, wine is setup, the gameix script installed and run.

Now, do this:
In /home/$USER type chmod +x knopxgam and then ./knopxgam. When asked, whether to continue, confirm with "Y" or "J". No further interaction is necessary!

In about 10 to 15 min ddikick.x and gamess.00.x are made and Checktst tells you: All 44 test results are correct. Congratulations! your new Gamess works. Here's a summary of a live session.

Note 1: rungms has been edited to make use of up to four cores of a dual or quad core CPU, running in parallel. Just call Gamess with:
rungms job(.inp) 00 2 (or 3, or 4) > job.log   to engage from 2 to 4 processors of your SMP. With
rungms job(.inp) 00 1 job.out   or rungms job(.inp) > job.log   (with gamess.00.x) the normal single CPU run is started. In gameix you can select the number of CPU's to be engaged with the configuration file on the MasterMenu.
Note 2: USB stick On the Knoppix-6.0.1 CD is a program to install the operating system on a USB drive. Just stick this into any x86 computer and reboot from the USB drive. Run knopxgam on the stick and thus create a portable Gamess. The stick allows to preserve your environment including new programs and results, contrary to a CD-Rom.

Return to main page of Gamess compilations.