Need guidance with ATK installation for parallel computing

[madguitar]

We are running ATK on Red Hat 5.

We have the necessary license from quantumwise to run this on parallel nodes. But we need some guidance.

I found this tutorial on the website https://www.quantumwise.com/publications/tutorials/item/509-mpi-setup-for-running-atk-in-parallel-on-a-simple-cluster

I understand that we have to first download and install MP and then configure SSH to have a password-less access and finally set it up to work with ATK parallely.

Pre-installation set up :

But before we do this, do we need to set up the network in some specific way ? Like Client Server kind of set up ?

Do we need to install some other cluster software (https://access.redhat.com/documentation/en-US/Red_Hat_Enterprise_Linux/5/html/Cluster_Suite_Overview/s1-rhcs-intro-CSO.html) ?

Configuring the cluster :

In the tutorial, it says that we have to create the machinefile in the home directory. Do I have to do this in all nodes or just one main server ? Do I need to install ATK on all nodes or just the main node ?

You can probably understand that this is new to us and we need guidance from you guys

[Jess Wellendorff]

I see that you also sent this question to support@quantumwise.com. We will handle the support from there.

[madguitar]

Hi Jess,

Sorry to post it here as well. Needed some quick guidance and I found the forum after I sent you guys the email.

[Jess Wellendorff]

No problem!