Info: enter "!" to ignore the default and set no valueĮmail Address (for sharing data): name: Janeĭatabase engine (postgresql_psycopg2) :ĭatabase backend (django, sqlalchemy) :ĭatabase host: .govĭatabase password: # Enter the password from ``īroker protocol (amqp, amqps) : amqpsīroker password : # Enter the password from ``īroker host : .gov Now, run verdi setup -profile and provide the requested information as shown below. Note that postgresql is the database, relevant when you are queried about your database host, port, etc rabbitmq is the broker, relevant when you are queried for a broker username, password, etc. You'll create your AiiDA profile using the credentials you found in /usr/workspace//.lciaas/cz. Obtaining file:///home/g0/janeh/August2021/aiida-core # To deactivate an active environment, use To clone the repo, conda create -name aiidavenv python=3.8 To set up AiiDA on maya6, we'll first clone the repo, check out the desired version (here v1.6.4), create a virtual environment, and install AiiDA. Note that for groups, credentials will be stored in /usr/workspace//.lciaas/cz. (These credential files exist after you've requested AiiDA resources from LC's Workflow Enablement Group.) You should see subdirectories for rabbit-mq and postgresql, each with a *.info file. On the CZ, you'll find the credentials necessary to configure AiiDA in workspace in the directory /usr/workspace//.lciaas/cz. Getting started with AiiDA ¶ Grabbing your credentials ¶įirst, log in to the production machine on which you'd like jobs submitted from AiiDA to run. For example, you may choose to set up AiiDA on maya in order to run quantum espresso jobs on quartz.įor more info, see the full AiiDA docs. Note: The machine from which the AiiDA daemon runs (where the user works while submitting calculations) is often distinct from the machine where the calculations managed by AiiDA will actually run. You may also be interested in instructions for x86 LC production systems (like flash, quartz, etc.) and older versions of setup instructions for v1.5.2 and v1.3 Note: These instructions should work for AiiDA v1.6.4 on maya6.
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