Launching remote schrodinger jobs from maestro

Schrodinger's Maestro GUI supports running jobs on remote systems to take advantage of systems with more computational resources.

Setting this up requires 3 things: 1. Setting up ssh keys to the remote system 2. Configuring schrodinger.hosts for the system 3. Launching the jobs on the appropriate system.

Configuring schrodinger.hosts The schrodinger.hosts file should be located (or created) in your home directory; in $HOME/.schrodinger.

An example schrodinger.hosts file:

name: localhost
tmpdir: /tmp/

# remote system
name: <my_schrodinger_host>
user: <my_remote_username>
host: <my_remote_hostname>
tmpdir: /tmp
processors: 32

Launching jobs on the remote system

To launch a job on a remote system, the name under "Host" should match the name line for the remote system in your schrodinger.hosts.