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    <div class="moz-cite-prefix">Hi,<br>
      <br>
      I had a look at my change to the FFTW checks, but I don't see how
      something can go wrong here. As far as I can see the order and
      essential logic have not changed compared to 5.0.4.<br>
      <br>
      Cheers,<br>
      <br>
      Berk<br>
      <br>
      On 05/13/2015 05:54 PM, Mark Abraham wrote:<br>
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cite="mid:CAMNuMAT5ZpLk6b8p=_Wqc==y01T79OMHQBQtE+BkCn=ZbEHH9g@mail.gmail.com"
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      <div dir="ltr">Hi,
        <div><br>
        </div>
        <div>Thanks for the email.</div>
        <div><br>
          <div class="gmail_quote">On Wed, May 13, 2015 at 5:34 PM
            Hardy, Adam &lt;<a moz-do-not-send="true"
              href="mailto:ah259@hw.ac.uk">ah259@hw.ac.uk</a>&gt; wrote:<br>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear
              all,<br>
              <br>
              I'm having trouble installing the latest release. Leaving
              all other options default, but switching
              GMX_BUILD_OWN_FFTW=yes results in a cmake warning:<br>
              <br>
              "<br>
              CMake Warning at cmake/gmxManageFFTLibraries.cmake:93
              (message):<br>
                 The FFTW library was compiled with neither --enable-sse
              nor --enable-sse2;<br>
                 those would have enabled SSE(2) SIMD instructions. 
              This will give<br>
                 suboptimal performance.  You should (re)compile the
              FFTW library with both<br>
                 SSE2 and AVX instruction support (use both
              --enable-sse2 and --enable-avx).<br>
                 The FFTW library will determine at runtime which SIMD
              instruction set is<br>
                 fastest for different parts of the FFTs.<br>
               Call Stack (most recent call first):<br>
                 CMakeLists.txt:742 (include) </blockquote>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex">"</blockquote>
            <div> </div>
            <div>That's inconsistent and somewhat embarassing, but not
              actually a problem. FFTW hasn't been downloaded or built
              by the time that warning is issued, so we have some logic
              that doesn't work correctly in the auto-download case.</div>
            <div><br>
            </div>
            <div>Later on, FFTW is built but is still compiled with only
              --enable-sse2. We may change that behaviour for 5.1, if it
              is clear that adding --enable-avx as well is always
              neutral-or-useful, but there's nothing wrong with the
              resulting mdrun here.</div>
            <div><br>
            </div>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex">
              This configuration works as expected with 5.0.4.<br>
              <br>
              I get the same results with this setting as "no". This
              message doesn't make much sense in either case as I do not
              have an FFTW library on my machine.</blockquote>
            <div><br>
            </div>
            <div>Hmm that could be a minor problem, but none of us have
              tried a build on a machine without FFTW, for the obvious
              reason. :-)</div>
            <div> </div>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex">The
              error I get in 5.0.4 for this scenario is:<br>
              <br>
              "<br>
              Could not find fftw3f library named libfftw3f, please
              specify its location in CMAKE_PREFIX_PATH or FFTWF_LIBRARY
              by hand (e.g.<br>
               -DFFTWF_LIBRARY='/path/to/libfftw3f.so')<br>
              <br>
               CMake Error at cmake/gmxManageFFTLibraries.cmake:76
              (MESSAGE):<br>
                 Cannot find FFTW 3 (with correct precision - libfftw3f
              for mixed-precision<br>
                 GROMACS or libfftw3 for double-precision GROMACS). 
              Either choose the right<br>
                 precision, choose another FFT(W) library
              (-DGMX_FFT_LIBRARY), enable the<br>
                 advanced option to let GROMACS build FFTW 3 for you<br>
                 (-GMX_BUILD_OWN_FFTW=ON), or use the really slow
              GROMACS built-in fftpack<br>
                 library (-DGMX_FFT_LIBRARY=fftpack).<br>
               Call Stack (most recent call first):<br>
                 CMakeLists.txt:738 (include)<br>
              "<br>
              <br>
              I see some in the release notes some changes were made to
              the cmake warnings for AVX capable processors which I
              belive mine is </blockquote>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex">(AMD
              fx-8350).<br>
            </blockquote>
            <div><br>
            </div>
            <div>Yes, but we don't expect much/any improvement on AMD
              cpus from adding --enable-avx. Use --enable-sse2 always
              (which is what the auto-download does).</div>
            <div><br>
            </div>
            <div>Mark</div>
            <div><br>
            </div>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex">
              Thanks,<br>
              <br>
              Adam Hardy<br>
              PhD Student<br>
              School of Engineering and Physical Sciences<br>
              Heriot-Watt University<br>
              Edinburgh EH14 4AS, UK<br>
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