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 |