Saying Bye-Bye to Summer of HPC 2020

Saying Bye-Bye to Summer of HPC 2020

Hello everyone, unfortunately, this is my last blog post, but I am very happy to have spent 2 months in the Summer of HPC.  I don’t remember a summer when I learned so much and improve myself.

In my previous post, l try to explain HPC system, my works, and some tools to measure HPC system’s file system performance. If you still did not read the blog please firstly read it and then continue with this blog to understand easily what happened.

In the last of the internship, I worked on ORCA which is a scientific application to gather information about nano chemical molecules.

Figure 1: Workflow of test execution and analysis for ORCA

I worked on it because my job is about to learn how ORCA works, making performance analysis on Cartesius supercomputer which is a HPC cluster in SURFsara, and prepare a userinfo for users in SURFsara. Figure 1 represent this workflow. Also, I want to show a plot in Figure 2 about my work. Below, you can find the figure about measuring execution times of a basic ORCA test file which about performing geometry optimization of a [Fe(H2O)6]3+ molecule. To measure performance I used the total execution time in milliseconds(msec). The figure shows the execution time on one different type of node using different numbers of MPI tasks per node. This test shows good scalability up to 6 tasks per node, and then degraded scalability for higher core counts. The test case is too small to scale to a full node, and the overhead of the parallelization is too high compared to the compute work when the number of tasks increases.

Figure 2: Performance results depending on the number of MPI tasks for [Fe(H2O)6]3+ Molecule Test Case, ORCA 4.2.1

More details about the results of our analysis on Cartesius will soon be available on the ORCA userinfo page of SURFsara.

Presentation Video

End of the internship we prepared a video presentation about our project with my teammate Jesus. In this video, you can find information about our project.

Bye Bye Summer Of HPC 2020

I can say sincerely, I will miss the program, I highly recommend you to join this program in the next years if you want to spend the most effective summer of your life. Finally, thank you for all Summer of HPC 2020 family, the program’s coordinators, and my mentors in SURFsara.

Bye-bye Summer Of HPC!!!

You can contact to me on LinkedIn. Feel free to send a message!!!

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