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

Preparation

• Modify your configuration for SSH port forwarding on Mega.

Add two entries for Remote Forwarding:

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

Note that the local port is different but the remote port is 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.
• Follow these steps in the License Configuration helper:
  1. Configure license settings
  2. Advanced setup
  3. 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
• HPC/Software/Modules/atk/License troubleshooting on Windows.
• On Mac and Linux, the configuration file is at ~/.quantumwise/licenses.licconf.