Computer experiment in condensed matter physics
Title: Computer experiment in condensed matter physics
SNIC Project: SNIC 2019/35-56
Project Type: SNIC Medium Storage
Principal Investigator: Anatoly Belonoshko <anatoly@kth.se>
Affiliation: Kungliga Tekniska högskolan
Duration: 2020-01-01 – 2021-01-01
Classification: 10304 10505
Keywords:

Abstract

I was granted 500,000 hours/month on Tetralith for 2020. We are running large scale atomistic and first principles MD. These calculations require large amounts of data (e.g. configurations of samples with 10,000,000 atoms stored periodically during long MD run) to be stored for further analysis (not always possible to do that on the fly). We are currently using 5000 GIB with the upper limit of 7500 GIB. In the coming year we would like to have these limits set to 10000 GIB and 15000 GIB. We also run machine learning codes that generate large number of files, therefore we will need 3,000,0000 files stored.