User:Manoj
VASP BENCHMARKING
Intel Machine ( E5-2643 @ 3.30GHz)
Following library and flags were used:
MKLDIR = $(HPC_MKL_DIR)
MKLLIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
FFTW = Internal VASP FFTs
FFLAGS = -free -names lowercase -assume byterecl
OFLAG = -O2 -xsse2 -unroll-aggressive -warn general
As a first check, SIMD were changed and following is the result for MgMOS (input files can be found in the VASP):
| SIMD Instruction | Time(s) |
|---|---|
| sse2 | 158 |
| sse4.1 | 156 |
| sse4.2 | 155 |
| avx | 155 |
| ssse3 | 156 |