User:Manoj
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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:
| SIMD | Time(s) | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ra | Sun Fire V20z | 2 | Opteron 250 | 2.4 | 4 GB | WR00L2R2 | 21000 | 96 | 2 | 1 | 7.577 | ||
| Phase 2 | ASUS K8N-DRE | 4 | Opteron 275 | 2.2 | 4 GB | WR00C2R2 | 21000 | 96 | 2 | 2 | 14.13 | ~200 W |