[QE-users] Expert users view required on FFT_LIBS and IFLAGS with QE-6.2.1

[Dr. K. C. Bhamu]

Dear Developer and Users,

I am trying to install the recent version of QE on a cluster with
Intel ScaLAPACK and ifort, icc.


I found on QE page the performance can be boosted if a right combination
of  ScaLAPACK and fftw is used.


My query is for FFT_LIBS and IFLAGS:

Which combination of flags for "FFT_LIBS and IFLAGS" gives
better performance:
1. internal (I assume that it will be used at default if we do not specify
anything about fftw)
2. MKL
3. External (downloaded from fftw website)
4. Can be mixed FFT_LIBS and IFLAGS from both MKL and external?


Looking forward to hearing from experts!


Kind regards
Bhamu
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