What is the best plan to run my calculations on Microsoft Azure?

Question

In my research, I use some ab initio codes like Quantum Espresso and BerkeleyGW. Some calculations take a long time if run under the University servers (more than one week). So, I plan to use Microsoft Azure.

I'm confused about some points:

• Will I find these codes (Quantum Espresso and BerkeleyGW) ready on Microsoft Azure? Or will I install it by myself?
• What is the best service provided by Microsoft Azure that suits my needs?
• How do I estimate the average cost of my usage?

Best Regards,

Ragab.

Answer 1

@Ragab Abdelghnay To use Quantum Espresso and BerkeleyGW on Microsoft Azure, you will need to install them yourself on a virtual machine (VM) running on Azure. You can choose to use a pre-configured VM image that includes these codes, or you can install them manually on a custom VM.

The best service provided by Microsoft Azure for your needs would be the Virtual Machines service. This service allows you to create and manage VMs running on Azure, giving you full control over the software and configuration of the VM.

To estimate the average cost of your usage, you will need to consider several factors such as the size and configuration of the VM, the amount of storage you need, and the amount of data transfer required. You can use the Azure pricing calculator to estimate the cost of running your VM on Azure. The pricing calculator allows you to select the VM size, storage type and size, and data transfer requirements, and provides an estimate of the monthly cost.

Keep in mind that the cost of running your VM on Azure will depend on the amount of time it is running and the resources it is using. You can use Azure cost management tools to monitor your usage and optimize your costs.

I hope this helps! Let me know if you have any further questions.

Here is a document that provides the information on how to deploy Quantum Espresso on an azure virtual machine and how to calculate the costs related to it.