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 pkgconfig libfftw3.a libfftw3_mpi.la libfftw3_threads.a libfftw3.la libfftw3_omp.a 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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