Linux Ubuntu 18.04
slurm-wlm 17.11.2
Intel Compilers 2021.4.0
Intel MKL 2021.4.0
===== Processor composition =====
Processor name : Intel(R) Xeon(R) Gold 6230R CPU @ 2.10GHz
Packages(sockets) : 2
Cores : 52
Processors(CPUs) : 104
Cores per package : 26
Threads per core : 2
RAM : 512 GB
===== Software =====
Quantum ESPRESSO ver. 7.0
VASP ver. 5.4.4
VASP ver. 6.3.0
USPEX-10.5 – USPEX latest version (no matlab needed)
USPEX_2022.0.1 – USPEX latest python version
LAMMPS package (2020 year).
GULP ver. 4.3, serial mode.
ORCA ver. 5.0.3
mlip-v3 – Machine learning interatomic potentials
siesta ver 3.2