How to build GAMESS on BG/Q

Graham Fletcher, Argonne LCF


Step 1: Following the usual instructions for building GAMESS, 
        type './config'

        When asked,
"The Blue Gene platform has two models, L (older) and P.
 Which model do you have?"
        enter 'p' (return)

(ie. pretend BG/Q is BG/P)

Step 2: Continue with the rest of the build as normal.



Running GAMESS on Mira at Argonne LCF

Please find a simple example queue script   gmsbgq   that 
summarizes the main requirements for submitting jobs to 
the ALCF resource manager, called  cobalt  .



Notes:

The script  ibmbg.size  has been used to minimize common 
blocks in the EFP code supplied with this build in order 
to reduce the memory footprint of GAMESS on BG/Q which is 
a limited memory-per-core machine (1Gbyte per core).  

If you have questions about any of the above, please send 
email to    fletcher@alcf.anl.gov


