Clarification on Recommended Configuration for fftlib Library.
Posted: Wed Jan 03, 2024 3:01 pm
Dear VASP Forum,
I am currently configuring the compilation process for the VASP code and I came across the recommended settings for the fftlib library in the makefile.include.intel_omp template file shipped with vasp.6.4.2 source code. The relevant section is commented as "For the fftlib library (hardly any benefit in combination with MKL's FFTs)" but still provides recommended configuration settings.
This raises a question for me: if the benefit of using fftlib in combination with MKL's FFTs is acknowledged to be minimal, why are these settings recommended? Is there a specific scenario where it might be advantageous to use this combination? If the fftlib library is not recommended to be used with MKL's FFTs, is there an alternative configuration that should be considered?
Your clarification on this point will be greatly appreciated. Thank you.
Best regards,
Zhao
I am currently configuring the compilation process for the VASP code and I came across the recommended settings for the fftlib library in the makefile.include.intel_omp template file shipped with vasp.6.4.2 source code. The relevant section is commented as "For the fftlib library (hardly any benefit in combination with MKL's FFTs)" but still provides recommended configuration settings.
This raises a question for me: if the benefit of using fftlib in combination with MKL's FFTs is acknowledged to be minimal, why are these settings recommended? Is there a specific scenario where it might be advantageous to use this combination? If the fftlib library is not recommended to be used with MKL's FFTs, is there an alternative configuration that should be considered?
Code: Select all
FCL = mpiifort fftlib.o -qmkl
CXX_FFTLIB = icpc -qopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE
INCS_FFTLIB = -I./include -I$(MKLROOT)/include/fftw
LIBS += fftlibBest regards,
Zhao