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vasp

VASP 5.4.4

under construction

For licensed research groups only. Please contact hpc-support with license info to be added to the vasp user group for access to the compiled versions.

Compilation

module load intel/18.0.2 impi/18.0.2 mkl/18.0.2
$ diff arch/makefile.include.linux_intel build/std/makefile.include
7d6
<              -Davoidalloc \
10a10
> #            -Davoidalloc \
20c20
< OFLAG      = -O2
---
> OFLAG      = -O2 -xsse3 -axsse4.2,AVX,COREAVX512

Single Node Benchmarks Fe-SE system 0.05e

SystemElapsed Time (std)Elapsed time(-xsse3 as above)
Razor II:E5-2670 v1 2s/16c10841072
Trestles: 6136 4s/32c13061303
Bellaiche: E5-2650 v4 2s/24c595574
Test Epyc: 7451 1s/24c17171765
GPU Skylake (cpu only): Silver 4116 2s/24c673648
Test Skylake: Gold 5118 2s/24c656585
vasp.txt · Last modified: 2018/07/10 14:22 by root