User:Manoj

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Revision as of 21:26, 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 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