In the process of setting up the CIA cluster for DMol3 (Accelrys) and Gaussian calculations. The use of a batch queuing system is recommended by Accelrys to take advantage of available resources (as they become available). The only open-source package they put their name to is OpenPBS (at openpbs.org). Compilation on a 64bit dual core AMD Opteron box (or any 64bit Linux system) gives the following error message.
a] [../OpenPBS ]# ./configure creating cache ./config.cache checking host system type... Invalid configuration `ia64-pc-linux-gnuoldld': machine `ia64-pc' not recognized Invalid configuration `ia64-pc-linux': machine `ia64-pc' not recognized configure: error: config.sub failed on ia64-pc-linux
The problem is that OpenPBS’s (terribly out-of-date) auto-config script for configure doesn’t know 64bit Linux out of the box. The solution to this is to not let configure guess the machine type. This is done by modifying a single line in the config.guess file located in the OpenPBS “../buildutils/” directory.
You can either go into the config.guess file and change the line
b] #UNAME_MACHINE=`(uname -m) 2>/dev/null` || UNAME_MACHINE=unknown
or download the altered config.guess file HERE. The downloaded file has a .txt extension to it (in case your browser gets confused) which you’ll have to delete when you download it
d] mv config.guess.txt config.guess
Just replace the existing config.guess file with this new one and ./configure away.
P.S. I’m doing this (these) installation(s) with OpenSuse 10.0. The default installation for OpenSuse was not designed for programmers (as I rant about HERE). You’ll need to Yast gcc and tcl/tk packages to make OpenPBS (and just about everything else) compile. If you’ve not gotten that far yet, just install everything and accept the lost 6 GBs to peace of mind (and don’t ask about fortran).