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@mboisson
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The only module of Siesta that uses FFTW is STM, and
./Util/STM/ol-stm/Src/Makefile
explicitly mentions:

  19 #
  20 #  If your main Siesta build used an mpi compiler, you might need to
  21 #  define an FC_SERIAL symbol in your top arch.make, to avoid linking
  22 #  in the mpi libraries even if we explicitly undefine MPI below.
  23 #

Using LIBFFT contains -lfftw3_mpi, which will fail to link when compiled by a serial compiler.

fftw should be set to LIBFFT_MT and not LIBFFT

@akesandgren @dithwick

@migueldiascosta
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fwiw, in my case (using foss/2019b) it doesn't fail while linking with gfortran and -lfftw3_mpi, but it does fail while running stm, with undefined symbol: ompi_mpi_char and this PR solves that.

@migueldiascosta migueldiascosta added this to the 4.x milestone Jan 26, 2022
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LGTM

@akesandgren
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Going in, thanks @mboisson!

@akesandgren akesandgren merged commit 7562a4b into easybuilders:develop Feb 14, 2022
@boegel boegel changed the title Update Siesta EasyBlock to use serial FFTW update Siesta EasyBlock to use serial FFTW Feb 16, 2022
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3 participants