Seeking advice on building 6.0 on Cray XE (CLE 3.1)
Clicked A Few Times
6:49:19 AM PDT - Sat, May 28th 2011
Does anyone have experience building 6.0 on Cray XE (CLE 3.1)? The install doc contains info on the older XT platform with portals.

Thanks,
Chris

Forum Vet
5:06:38 PM PDT - Wed, Jun 1st 2011
Chris,

NWChem 6.0 is not supported on the Cray Gemini interconnect. However, if you download the latest development version you should be able to compile on such a machine. You will need to:

1. Download development version
2. One the Cray "module load onesided"
3. Use the Cray ftn and cc compilers
4. Set ARMCI_NETWORK GEMINI
5. You may have to set GEMINI_INCLUDE="-I/opt/cray/onesided/default/include -I/opt/cray/gni-headers/default/include"

Let us know how it goes.

Bert


Quote:Orleans704 May 28th 1:49 pm
Does anyone have experience building 6.0 on Cray XE (CLE 3.1)? The install doc contains info on the older XT platform with portals.

Thanks,
Chris


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