NWChem on BlueGene/Q systems, especially Cineca FERMI
Just Got Here
6:25:37 AM PST - Tue, Mar 5th 2013
Dear all,

I read on the webpage of Cineca/FERMI, that there will be a version of NWChem for BlueGene/Q systems in early 2013.[1]
Is this version already available? Or when can I expect it?

I would like to use NWChem there on FERMI parallelized only over one node (16 cores or even less) via OpenMP/Threading. Will that be possible?

Thank you and best regards,
Pascal

Forum Vet
9:35:17 AM PST - Tue, Mar 5th 2013
The message from Cineca/FERMI did not come from NWChem support, but rather from staff at the ACLF at Argonne National Laboratory!!!

We are working on a new release that should allow for NWChem to be compiled and run on BlueGene/Q. Look for it around the end of March.

Bert


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