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Intel fftw mpi update for MKL >= 11.1#987

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boegel merged 11 commits intoeasybuilders:developfrom
hajgato:imkl_fftw_mpi_fix
Aug 1, 2014
Merged

Intel fftw mpi update for MKL >= 11.1#987
boegel merged 11 commits intoeasybuilders:developfrom
hajgato:imkl_fftw_mpi_fix

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@hajgato hajgato commented Jul 30, 2014

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Automatic reply from Jenkins: Can I test this?

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boegel commented Jul 30, 2014

Jenkins: ok to test

Comment thread easybuild/toolchains/fft/intelfftw.py Outdated
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no other way of doing this? This list has to be updated for every new MPI software we add.

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Good point, but I'm afraid there's no other way. There's no guarantee that the MPI is part of the toolchain being used. In fact, imkl is (for historical reasons, I think) often built with a dummy toolchain.

Balázs Hajgató and others added 4 commits July 31, 2014 16:03
Comment thread easybuild/toolchains/fft/intelfftw.py Outdated
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this part looks silly now, I missed that, a single version check on 11.0.2 is enough here...

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libfftw3x_cdft_lp64.a is now also a hard requirement when using imkl v11.1.x, which it wasn't before; this PR fixes that bug

This means that existing installations of imkl v11.1.x will have to be redone, otherwise an error message like Not all FFTW interface libraries ['fftw3x_cdft_lp64', ...] are found in .../mkl/lib/intel64, can't set FFT_LIB. will appear...

@hajgato, @gjbex: this basically means that the imkl component of intel/2014b will have to be reinstalled in order to use intel/2014b with the next EasyBuild release...

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boegel commented Aug 1, 2014

Thoroughly tested this by rebuilding imkl on top of easybuilders/easybuild-easyblocks#445, and then rebuilding the ictce versions of CHARMM, CP2K, HPL, numpy, PETSc, QuantumESPRESSO, Trilinos, WIEN2k, and XCrySDen.

hajgato#4 fixes a minor issue with the error message, but I'll issue another PR for this myself rather than letting this one linger.

Thanks @hajgato for figuring this out and issuing the PR!

boegel added a commit that referenced this pull request Aug 1, 2014
Intel fftw mpi update for MKL >= 11.1
@boegel boegel merged commit 267d979 into easybuilders:develop Aug 1, 2014
@hajgato hajgato deleted the imkl_fftw_mpi_fix branch October 16, 2014 08:57
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4 participants