HPC/Applications/atk

Parallel jobs

• See QuantumWise's Parallel Guide
• We use Intel-MPI instead of MPICH2, with the Hydra process manager instead of MPD. See the sample.job file for details:

$ATK_HOME/sample.job

Remote access

To run ATK/VNL directly on your computer (as opposed to running it remotely and sending graphics over the network), follow these steps, all on your computer, to prepare for and launch the application:

Preparation

• Modify your configuration for SSH port forwarding to Mega. On Mac or Linux, make the changes to your file ~/.ssh/config . On Windows, apply the changes as shown in the help pages of your ssh application.

Add two entries for Remote Forwarding:

Local port: 6200,   Remote Port: 6200@cmgmt3
Local port: 6201,   Remote Port: 6200@cmgmt4

Note that the local ports are different but the remote ports are the same between the two entries.

• Log out from all Carbon nodes.
• Log out from Mega.

Download, Install, and Configure

• Log back in to Mega. This will activate the tunnel configuration that you added previously, to be used later by the ATK License Configuration wizard.
• Download ATK from QuantumWise
• Follow the installation instructions until you reach the license configuration step.
• In the License Configuration helper, choose Configure license settings, Advanced setup. In the field for QUANTUM_LICENSE_PATH+= add:

localhost:6201@localhost

• Finish the helper.

Launching ATK/VNL

• Make sure you are logged in to Mega.
• Start VNL or atkpython normally for your platform.

Troubleshooting licensing

• http://docs.quantumwise.com/guides/InstallationGuides/licensing.html
• On Mac and Linux, the configuration file is at ~/.quantumwise/licenses.licconf.
• HPC/Software/Modules/atk/License troubleshooting on Windows (written for ATK-12).