[CPMD-list] CPMD on BlueGene

[Ivaylo Ivanov]

Dear CPMD users,
I would like to find out if anyone has tried/succeeded in porting the CPMD
code  to the IBM BlueGene architecture. Please, let me know what are the
necessary changes in the code as it appears that simple recompilation with
new compiler options/Makefile doesn't work (The code compiles but then
produces segmentation faults). SDSC has installed a one rack BG machine
here and I would very much like to see if it is useful for CPMD. Before
trying to debug I wanted to get expert opinion and hence this message.
Thank you very much in advance.

Sincerely,
Ivaylo Ivanov

-- 
Ivaylo Ivanov
Center for Molecular Modeling | University of Pennsylvania
231 S.34 Street,              | Philadelphia,PA 19104-6323
tel: (215) 573 8697           | fax: (215) 573 6233
e-mail: iivanov at cmm.chem.upenn.edu