Lindqvist -- a blog about Linux and Science. Mostly.: PNNL

Lindqvist -- a blog about Linux and Science. Mostly.

Lindqvist - a blog about Linux and Science. Mostly.

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Showing posts with label PNNL. Show all posts

Showing posts with label PNNL. Show all posts

23 October 2012

264. Upgrade to ECCE 6.4 on Debian Testing

There's little reason to upgrade from 6.3 to 6.4 since Other than open source availability and bundling the latest NWChem 6.1.1, the ...

07 June 2012

179. Building ECCE on Debian Testing/Wheezy

UPDATE: Build went fine. Upgrade went fine. But the organizer doesn't show my jobs properly i.e. the files are there but they aren'...

01 June 2012

169. ECCE, node hopping and cluster nodes without direct access to WAN

NOTE: I'm still working on this. But this sort of works for now. More details coming soon. Update: I've posted better solutions m...

05 May 2012

139. compiling nwchem with custom ATLAS on debian

I'm not yet sure, but there seems to be something weird with this build. Use the openblas build here preferentially: http://verahill.b...

19 March 2012

111. Ecce (nwchem) on Debian, and ROCKS/Centos

If you're using nwchem chances are that you've considered using ECCE to parse the output: http://ecce.emsl.pnl.gov/ First of all ...

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