WebMO Help - Installing WebMO in the Cloud

Using Cloud Computing for Computational Chemistry

Google, Amazon, and Microsoft each provide cloud computing resources that allow one to create virtual machines capable of running computational chemistry programs. WebMO provides a Server In The Cloud (SITC) script that automates the installation of WebMO and computational engines on these cloud computers:

One has the flexibility of choosing the computer type (CPU's, RAM, disk) appropriate for one's teaching or research needs. The cost can be surprisingly low (<$1/day), and even lower if the instance is run only when needed. There are many other advantages, such as zero initial capital cost and no hardware maintenance. We have found cloud computing to be an ideal solution for deploying WebMO and computational chemistry engines, especially for educational purposes.

This page provids an overview of the installation process. A complete guide to installing WebMO on a cloud virtual machine are available at the above links.

Establish a cloud computing account

Similar to setting up an email account, each vendor requires that you establish a cloud computing account. To encourage usage, each vendor provides a free trial period, typically one year or $300 of computing credit, whichever comes first. You will need to supply billing information to verify that you are a real person, but you will not be charged unless you upgrade your account after your trial ends.

Create a virtual machine instance

Go to the computing console, which is a web interface for managing and interacting with your virtual machines.

Define the characteristics of your virtual computer. Typical settings might be:
        Name: webmo-#
        Machine type: 1 CPU, 4 GB Memory
        Operating System: CentOS 7 (or Ubuntu or Debian)
        Disk Size: 20 GB
        Firewall: allow HTTP and HTTPS

Start your machine. Within a minute, it will be operational.

Verify SSH access

The computing console will display the IP number of your virtual machine. Connect to your virtual machine with the terminal facility built into the console (Google: click the SSH link) or with your terminal program on your local computer (Amazon, Microsoft: <username>@#.#.#.#). When the connection is made, test some unix commands:
        $ ls
        $ pwd
        $ whoami

Use SITC to configure web server and install WebMO

In your SSH session, download and run the Server in the Cloud (SITC) script:
        $ curl -O https://www.webmo.net/cloud/sitc.tar.gz
        $ tar xzf sitc.tar.gz
        $ ./sitc/install

Follow prompts to:

Do not delete the SITC script ferom your virtual machine. It contains configuration information, and it can be used to install additional compute engines. For a full description of SITC, type:
        $ ./sitc/install --help

Verify web access

Open your web browser. Go to:
        http://#.#.#.#
where #.#.#.# is the IP number of your virtual machine. You should see a Test page confirming that you can access your virtual machine via the web.

Set a WebMO administrator password

From your web browser, go to:
        http://#.#.#.#/webmo
You will see the WebMO login page.

Log in with the username "admin" and a blank password. Set an administrative password when prompted. Enter your registration information. You are brought to the WebMO administration menu. Since a user was already created and mopac was already installed, simply click Logout.

Access and use WebMO

From your web browser, go to:
        http://#.#.#.#/webmo

Log in with the WebMO username and password you supplied to the installation script. Run a test job.

Shutdown virtual machine

When WebMO is not being actively used, you will want to shut it down to avoid incurring CPU usage charges. From the computing console, select your virtual machine and click the Stop icon.

Note that you still incur disk storage charges ($1/month for 20GB) even if the virtual machine is not running.

Restarting virtual machine

To start up the machine again, login to your cloud computing account, go to the computing console, select your virtual machine, and click the Start icon. Within a minute, the instance is up and running again.

Additional Information

Consult the guide for your cloud vendor for more details about installing and using WebMO in the cloud:

This guide also includes additional information such as: