Computer experiment in condensed matter physics
Title: Computer experiment in condensed matter physics
SNIC Project: SNIC 2020/6-276
Project Type: SNIC Medium Storage
Principal Investigator: Anatoly Belonoshko <anatoly@kth.se>
Affiliation: Kungliga Tekniska högskolan
Duration: 2021-01-01 – 2022-01-01
Classification: 10304 10505
Keywords:

Abstract

I was granted 450,000 hours/month on Tetralith for 2021. 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 6000 GIB with the upper limit of 10000 GIB. In the coming year we would like to have these limits set to 15000 GIB and 20000 GIB. We also run machine learning codes that generate large number of files, therefore we will need 1,000,0000 files stored.