You just specify the fftw3 libname, which is just "fftw3" (not libfftw3.a).
The parallel fftw libraries will automatically use "fftw3_mpi" in the
Makefile.
Regards
Am 05.12.2025 um 12:26 schrieb pradeep sharma:
Hello,
I am trying to configure my Wien2k calculations in parallel. Although
the calculations are running smoothly in serial mode, however upon
trying to do configure WIEN2k for parallel process Wien2k is unable to
locate the parallel FFTW-mpi libraries.
"(base) prad@Pradpc:/opt/fftw-3.3.10/lib$ ls
cmake libfftw3_mpi.a libfftw3_omp.la <http://libfftw3_omp.la>
pkgconfig
libfftw3.a libfftw3_mpi.la <http://libfftw3_mpi.la> libfftw3_threads.a
libfftw3.la <http://libfftw3.la> libfftw3_omp.a libfftw3_threads.la
<http://libfftw3_threads.la>
although all the libraries are in the /opt/fftw-3.3.10/lib directory."
Even then WIEN2k is detecting only certain libraries and specifically
not the mpi libraries.
"Do you want to automatically search for FFTW installations? (Y,n):
Y
Please specify a comma separated list of directories to search! (If no
list is entered,
/usr/lib64, /usr/local and /opt will be searched as default):
/opt
Finding the required fftw3 library-files in /opt ....
/opt/fftw-3.3.10/lib/libfftw3_omp.a
/opt/fftw-3.3.10/lib/libfftw3.a
/opt/fftw-3.3.10/lib/libfftw3_threads.a
/opt/fftw-3.3.10/lib/libfftw3.so
Your present FFTW choice is: FFTW3
Present FFTW root directory is: /opt/fftw-3.3.10-mpi/lib/
Do you want to use a FFTW version from the list above? (Y,n):
Any help in this regard will be highly appreciated,
Regards
Pradeep Sharma
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: [email protected]
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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