Visualization and CPU Performance Analysis of PRACE Material Science Community Code: Siesta

Siesta is density-functional based packages for electronic-structure calculations Both codes enables the calculation of nano scale structures at the atomic level. The packages are written in Fortran and utilize MPI for parallel communication. Students have to compile and optimize each code as well as write job scripts for the scheduler. They will run some selected examples, from small molecules to large bulk systems to measure and check scalability and determine the optimal resource requirement. They will visualize input and output data with VMD as well as plot scalability graphs for performance analysis.

Posted in Projects 2015 Tagged with: , , ,

Visualization and GPU Performance Analysis of PRACE Material Science Community Code: Quantum Espresso

Quantum Espresso is density-functional based packages for electronic-structure calculations Both codes enables the calculation of nano scale structures at the atomic level. The packages are written in Fortran and utilize MPI for parallel communication. Students have to compile and optimize each code as well as write job scripts for the scheduler. They will run some selected examples, from small molecules to large bulk systems to measure and check scalability and determine the optimal resource requirement. They will visualize input and output data with VMD as well as plot scalability graphs for performance analysis.

Posted in Projects 2015 Tagged with: , , ,

Presentations from Hungary

Here are the final presentations from Elisavet & Nicolas who were on placement in Hungary. Elisavet Nicolas     Please follow and like us:

Posted in Presentations Tagged with: , , ,

In the heart of Europe… the sequel!

After a month and a half at Budapest and NIIFI, the training period has ended and we have started producing our own results as planned (see my previous post here). The full training program included many interesting tools; more specifically we

Posted in Blogs Tagged with: , , , , , , , , , ,

In the heart of Europe…

In the heart of Europe and more specifically in Budapest, the capital of Hungary, I will spend my summer. The city is split in two parts by the Danube River, the Buda and the Pest. The Pest side, where both

Posted in Blogs Tagged with: , , , , , , ,

Material Science

This is a joint proposal which has three mentors. The project is for two students (either undergraduates or postgraduates). Students will become acquainted with user friendly HPC tools: profiler, grid middleware (ARC), visualization tools (VMD, VirtualGL/TurboVNC) as well as one application from the PRACE community code repository: Quantum Espresso or Siesta.

Posted in Projects 2013 Tagged with: , , ,
Facebook831
Facebook
Google+33
https://summerofhpc.prace-ri.eu/tag/niifi/">
Follow by Email27