User:Manoj

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Revision as of 20:49, 7 December 2012 by Manoj (talk | contribs)
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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
Phase 2 ASUS K8N-DRE 4 Opteron 275 2.2 4 GB WR00C2R2 21000 96 2 2 14.13 ~200 W