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author | TZ <tz-rrze@users.noreply.github.com> | 2020-03-01 17:08:33 +0100 |
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committer | GitHub <noreply@github.com> | 2020-03-01 10:08:33 -0600 |
commit | ac4d0c3af7dedee2bdb73f45aa02f9685a4e2a64 (patch) | |
tree | 19b776fc3c317cfd488f12bb771d35dde0353166 /.gitignore | |
parent | 501fdc75b6ae8e3237438393d5df86a0edfcc2b0 (diff) | |
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Quantum-Espresso: qe-6.5 fails to detect MKL for FFT (#15276)
* Quantum-Espresso: qe-6.5 fails to detect MKL for FFT
qe-6.5 fails to detect MKL for FFT if BLAS_LIBS is set due to
an unfortunate upsteam change in their autoconf/configure:
- qe-6.5/install/m4/x_ac_qe_blas.m4 only sets 'have_blas'
but no 'have_mkl' if BLAS_LIBS is set (which seems to be o.k.)
- however, qe-6.5/install/m4/x_ac_qe_fft.m4 in 6.5 unfortunately
relies on x_ac_qe_blas.m4 to detect MKL and set 'have_mkl'
- qe-5.4 up to 6.4.1 had a different logic and worked fine with
BLAS_LIBS being set
However, MKL is correctly picked up by qe-6.5 for BLAS and FFT if
MKLROOT is set (which SPACK does automatically for ^intel-mkl).
Thus, do not set BLAS_LIBS when compiling qe-6.5 with intel-mkl.
* replace all '^intel-mkl' by '^mkl' to match other packages which also provide MKL
e.g. intel-parallel-studio+mkl as mentioned by @adamjstewart in #15276
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