Published April 13, 2022
| Version v1
Dataset
Open
Tuning VASP (ver. 6.2.1) performance on AMD supercomputers
Description
Here are provided several test results for the VASP code version 6.2.1 on Karolina supercomputer (karolina.it4i.cz) at IT4Innovations, VSB - Technical University of Ostrava, Czech Republic (it4i.cz) compiled with different compilers, compiler options, and numerical libraries. Tests have been done for two small systems (folders SMALL-1 and SMALL-2), and two
average systems (folders AVERAGE-1 and AVERAGE-2).
Notes
This work was supported by the ERDF in the IT4Innovations national supercomputing center - path to exascale project (CZ.02.1.01/0.0/0.0/16_013/0001791) within the OPRDE and
the project e-INFRA CZ (ID:90140) by the Ministry of Education, Youth and Sports of the Czech Republic.
Files
Files
(7.6 MB)
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