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Dear all, <br>
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after a year, I am returning to this thread, because I highly need optimized wien2k, capable of treating very large systems.<br>
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a) For parallel installation, is IntelMPI better than an OpenMPI built with Intel ?</div>
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b) Is ELPA needed for fast parallel Wien2K ? There is already MKL.
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c) Parallel FFTW3 is a must, right ?</div>
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Miro</div>
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