Knowledge Base

Article ID: 77 - Last Modified: September 16, 2013

How do I set up remote job submission from Windows to Linux hosts?

To set up remote job submission from Windows to Linux, the following configuration steps need to be performed. It is assumed that there is a installation of the Schrödinger software on the remote Linux machine, and that the SSH service is running on the remote Linux machine.

To start, you will need to configure your hosts file on the Windows machine, to add an entry for your remote Linux host (see section 7.1 of the Installation Guide for details). This file is named schrodinger.hosts and is located in the installation folder, which by default is C:\Schrodingerrelease.

An example entry in the hosts file may look like this:

name: remote_Linux
host: myhost.mydomain.com
schrodinger: /opt/schrodinger/suite2013-1
tmpdir: /usr/local/tmp
user: your_unix_username

If your Windows user name and Linux user name are identical, then the user: field in the hosts file is not necessary. If you need to send jobs to a remote Linux cluster, example hosts file entries can be found in section 7.3.3 of the Installation Guide.

Once you have added an appropriate entry for your remote Linux host, you must configure passordless SSH (see section 7.2 of the Installation Guide for details). Launch the Remote Login Configuration tool from Start → All Programs → Schrodinger-release. If you do not already have SSH keys, click the Generate Keys button. Next, click the Initialize Host Access button, select your new host from the table, and click the Initialize button to install your keys on the remote host (you will be prompted for your Linux password).

Finally, you can use the Diagnostics GUI (see section 7.6 of the Installation Guide) to check that the configuration has been successful. You can open this GUI from Start → All Programs → Schrodinger-release, or from the Help menu in Maestro. Wait for initial check to finish, and then select the Hosts tab. Select your remote host from the table, and click the Selected Host button to run a test job. If the test job fails with an ERROR message, click the TechSupport button to collect information that you can send to help@schrodinger.com.

Keywords: passwordless ssh, SchrodingerPlinkWizard, remote

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