===== 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
System, Elapsed Time (std),Elapsed time(-xsse3 as above)
Razor II:E5-2670 v1 2s/16c, 1084,1072
Trestles: 6136 4s/32c, 1306,1303
Bellaiche: E5-2650 v4 2s/24c, 595,574
Test Epyc: 7451 1s/24c, 1717,1765
GPU Skylake (cpu only): Silver 4116 2s/24c, 673,648
Test Skylake: Gold 5118 2s/24c, 656,585