From NWChem
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Gets Around
Threads 1
Posts 46
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| 5:28:22 PM PDT - Thu, May 31st 2012 |
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Definitely both the http://ecce.pnl.gov website contains some dated information as well as the context based help available from ECCE applications. But, both should still largely be relevant. The best place by far to get updated information on ECCE is by reading the release notes that are updated with each new version of ECCE. Extra time is spent on those precisely because the rest of the documentation primarly dates back several years. The release notes are available from the website and I always include a link to them when I sent out a release announcemnt to the ECCE user list.
For the open source release of ECCE it is a matter of getting the final approvals needed as the ECCE 6.3 release was the bulk of the technical work including a source code build environment and script to automate the build. ECCE is written primarily in C++ for the core applications and then there is a good chunk of both perl and python scripting for the parts like code registration and compute host and batch queue scheduler registration. So the C++ part of it might limit contributions compared to something like NWChem developed in Fortran primarily. As far as wiki documentation, that gets back to (lack of) funding if the documentation is populated here. Of course a template for community generated documentation could be done quite easily, but that working out and thriving would depend on the size and activity of the ECCE user community.
The wiki forum here is the spot to report errors and all other support requests. Your first item looks like it might be a pretty simple fix and I'll try to take a look at that. You are right that those should just be some python script changes and not C++ core application code. The second item I'm not as certain if there would be a simple fix since I'm not as familiar with the underlying code (as well as the remote communications code and job launching/monitoring, I wrote the electronic structure calculation editor application including the code registration framework).
Gary
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