launching remote schrodinger jobs from maestro
The maestro GUI supports running jobs on remote systems (usually ones with
more computational resources). Setting this up requires 3 things: set up SSH with keys
to the remote system; configuring schrodinger.hosts
for the system; and
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: sbgrid-zorin
user: my_remote_username
host: zorin.sbgrid.org
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
.