===== 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