Running ECCE standalone

Just Got Here

12:35:49 PM PDT - Fri, Jun 7th 2013
All I want to do is run ECCE as a stand alone app. I do not want it to communicate with the outside world. I have sftp and ssh to do that for me. All I want is to build jobs which can be run by NWCHEM and then be analyzed afterwards. I will be doing BO and CP MD. I want to be able to build those jobs and analyze the results when done. Can I do this? If so, how? I am not comfortable with the idea of running an apache server when I am the only user. Thanks for any help you can give.

Gets Around

9:23:59 AM PDT - Thu, Jun 13th 2013
Hi Mark, The only "standalone" capability in ECCE without running an Apache HTTP server (along with an Apache ActiveMQ java messaging server that is also part of the "ECCE server" bundle) is building molecules and saving them to files. So you are out of luck as far as setting up calculations, etc. like you need to do if you truly can't run an Apache server. But, if you install ECCE and specify "localhost" (or 127.0.0.1 if you haven't configured localhost to be recognized) as the machine when prompted, you will be blocking outside access. If your machine isn't accessible from the outside as well (our PNNL workstations aren't unless they have an explicit "security plan" in place to allow inbound traffic from outside our firewall), then you are doubly protected. The system resources consumed by the server are also very low so it won't chew up your CPU. Hopefully this helps alleviate your concerns. We'd love to have developed a "server-less" version of ECCE, but that was never in the cards with our minimal funding level. Best regards, Gary