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    <div class="moz-cite-prefix">It seems that for many other packages
      it does work, so we might want to comply with that.<br>
      <br>
      But here we seem to have another issue: -mfma4 was not added
      automatically.<br>
      CMakeLists.txt never checks for this. Did Erik simply forget to do
      so?<br>
      <br>
      Cheers,<br>
      <br>
      Berk<br>
      <br>
      On 10/18/2012 01:01 PM, Szil&aacute;rd P&aacute;ll wrote:<br>
    </div>
    <blockquote
cite="mid:CANnYEw5u6ua76dVa2E6PVZRbiGfH+-5ULkWOa4P6tCkxFHDcbQ@mail.gmail.com"
      type="cite">
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      That's correct. The point I was trying to make is that we might
      end up hearing about this issue in the future if people use CFLAGS
      just by routine. I fact, I'm not even sure that cmake is not
      supposed to pick up CLAGS as well and it's some later cmake pass
      rewriting compiler options is that the&nbsp;current&nbsp;code is trying to
      overcome, but it ends up loosing some options when CFLAGS is set.
      <div>
        <br>
      </div>
      <div>Any comments? Should CFLAGS work?<br>
        <div><br>
          <div>--<br>
            Szil&aacute;rd<br>
            <br>
            <br>
            <div class="gmail_quote">On Thu, Oct 18, 2012 at 9:43 AM,
              Jochen Hub <span dir="ltr">&lt;<a moz-do-not-send="true"
                  href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>&gt;</span>
              wrote:<br>
              <blockquote class="gmail_quote" style="margin:0 0 0
                .8ex;border-left:1px #ccc solid;padding-left:1ex">
                Following Szilard, I tried to use<br>
                <br>
                cmake -DCMAKE_C_FLAGS=-mfma4 ...<br>
                <br>
                instead of export CFLAGS=-mfma4 to add the -mfma4 flag.
                Now, the only difference in CMakeCache.txt is<br>
                <br>
                &lt; CMAKE_C_FLAGS:STRING='-mavx &nbsp;-Wall -Wno-unused
                -Wunused-value &nbsp;'<br>
                ---<br>
                &gt; CMAKE_C_FLAGS:STRING=-mavx &nbsp;-Wall -Wno-unused
                -Wunused-value &nbsp;-mfma4<br>
                <br>
                which is just what I wanted, right? (and the warning on
                emulating FMA instructions does not appear any more).<br>
                <br>
                Jochen<br>
                <br>
                <br>
                Am 10/17/12 11:28 PM, schrieb Szil&aacute;rd P&aacute;ll:<br>
                <blockquote class="gmail_quote" style="margin:0 0 0
                  .8ex;border-left:1px #ccc solid;padding-left:1ex">
                  <div>
                    <div class="h5">
                      <br>
                      That way of calling CMake triggers an interesting
                      bug in the option<br>
                      generator and CFLAGS will essentially override
                      part of the<br>
                      auto-generated compiler options. Diff of relevant
                      lines in<br>
                      CMakeCache.txt are below, the only difference is
                      that the second file<br>
                      ("+" in the diff) was generated by running
                      "CFLAGS=-march=native cmake...":<br>
                      <br>
                      &nbsp; //Flags used by the compiler during all build
                      types<br>
                      -CMAKE_C_FLAGS:STRING='-msse2 &nbsp;-Wall -Wno-unused
                      -Wunused-value &nbsp;'<br>
                      +CMAKE_C_FLAGS:STRING='-msse2 &nbsp;-march=native '<br>
                      &nbsp; //Flags used by the compiler during debug
                      builds.<br>
                      -CMAKE_C_FLAGS_DEBUG:STRING=-fno-inline &nbsp;-g<br>
                      +CMAKE_C_FLAGS_DEBUG:STRING=-g<br>
                      -//Flags used by the compiler during release
                      builds.<br>
                      -CMAKE_C_FLAGS_RELEASE:STRING=-fomit-frame-pointer
                      -funroll-all-loops<br>
                      -fexcess-precision=fast &nbsp;-O3 -DNDEBUG<br>
                      +//Flags used by the compiler during release
                      builds (/MD /Ob1 /Oi<br>
                      +// /Ot /Oy /Gs will produce slightly less
                      optimized but smaller<br>
                      +// files).<br>
                      +CMAKE_C_FLAGS_RELEASE:STRING=-O3 -DNDEBUG<br>
                      <br>
                      As this messes with "considered to be best basic
                      set of options", we<br>
                      could state that CFLAGS should not be used, but it
                      might be a better<br>
                      alternative to make the configuration prepend the
                      CFLAG to the<br>
                      CMAKE_C_FLAGS and keep our generated set of flags
                      as well.<br>
                      <br>
                      I'm not sure which options is best. Thoughts?<br>
                      <br>
                      --<br>
                      Szil&aacute;rd<br>
                      <br>
                      <br>
                      On Wed, Oct 17, 2012 at 10:12 PM, Jochen Hub &lt;<a
                        moz-do-not-send="true"
                        href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a><br>
                    </div>
                  </div>
                  <div class="im">
                    &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>&gt;&gt;
                    wrote:<br>
                    <br>
                    &nbsp; &nbsp; Hi all,<br>
                    <br>
                    &nbsp; &nbsp; many thanks for the help. I now compiled with
                    gcc 4.7 and with<br>
                    &nbsp; &nbsp; manually adding export CFLAGS=-mfma4 (that is
                    what you meant,<br>
                    &nbsp; &nbsp; right?). Now the warning does not appear any
                    more.<br>
                    <br>
                    &nbsp; &nbsp; I am not sure though how Gromacs performed on
                    this hardware using<br>
                    &nbsp; &nbsp; these settings, as the AVX kernels are
                    apparently not in release-4.6.<br>
                    <br>
                    &nbsp; &nbsp; Thanks,<br>
                    &nbsp; &nbsp; Jochen<br>
                    <br>
                    <br>
                    &nbsp; &nbsp; Am 10/17/12 5:12 PM, schrieb Szil&aacute;rd P&aacute;ll:<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; On Wed, Oct 17, 2012 at 4:46 PM, Berk Hess
                    &lt;<a moz-do-not-send="true"
                      href="mailto:hess@kth.se" target="_blank">hess@kth.se</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:hess@kth.se" target="_blank">hess@kth.se</a>&gt;<br>
                  </div>
                  <div class="im">
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:hess@kth.se" target="_blank">hess@kth.se</a>
                    &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:hess@kth.se" target="_blank">hess@kth.se</a>&gt;&gt;&gt;
                    wrote:<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Hi,<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Apparently icc can compile the code, so
                    than it's not<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; strange that<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;you end up in this situation. But we
                    should avoid this from<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; happening.<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;SSE4.1 would be the next supported
                    level, but you really<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; want the<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;vex instructions and not plain SSE, as
                    the latter is much<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; slower.<br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; AMD explicitly states that only up to -msse3
                    should be used on<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; Bulldozer<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; and I have never tried to generate SSE4.1
                    instructions with icc<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; and run<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; it on AMD. I would not be surprised if it
                    didn't work.<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; --<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; Szil&aacute;rd<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;The best thing would be to use gcc,
                    preferably 4.7.<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Cheers,<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Berk<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;----- Reply message -----<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;From: "Szil&aacute;rd P&aacute;ll" &lt;<a
                      moz-do-not-send="true"
                      href="mailto:szilard.pall@cbr.su.se"
                      target="_blank">szilard.pall@cbr.su.se</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:szilard.pall@cbr.su.se"
                      target="_blank">szilard.pall@cbr.su.se</a>&gt;<br>
                  </div>
                  <div class="im">
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&lt;mailto:<a moz-do-not-send="true"
                      href="mailto:szilard.pall@cbr.su.se"
                      target="_blank">szilard.pall@cbr.su.se</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:szilard.pall@cbr.su.se"
                      target="_blank">szilard.pall@cbr.su.se</a>&gt;__&gt;&gt;<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;To: "Discussion list for GROMACS
                    development"<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&lt;<a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>&gt;<br>
                  </div>
                  <div class="im">
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers@" target="_blank">gmx-developers@</a>__<a
                      moz-do-not-send="true" href="http://gromacs.org"
                      target="_blank">gromacs.org</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>&gt;&gt;&gt;<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Subject: [gmx-developers] warning
                    Emulating FMA<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; instructions - this<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;is probably not what you want!<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Date: Wed, Oct 17, 2012 15:25<br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Hi,<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;First of all, as far as I know, the new
                    icc 13 can not generate<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;AMD-compatible FMA4/XOP (v12 surely
                    cant:<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
href="http://developer.amd.com/__Assets/CompilerOptQuickRef-__62004200.pdf"
                    target="_blank">http://developer.amd.com/__Assets/CompilerOptQuickRef-__62004200.pdf</a><br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &lt;<a moz-do-not-send="true"
                    href="http://developer.amd.com/Assets/CompilerOptQuickRef-62004200.pdf"
                    target="_blank">http://developer.amd.com/Assets/CompilerOptQuickRef-62004200.pdf</a>&gt;),
                  <div class="im"><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;so I find it strange that you've ended
                    up with<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;GMX_ACCELERATION=AVX_128_FMA using an
                    Intel compiler --<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; unless you<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;set the acceleration manually. To get
                    FMA4 support you need<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; to use a<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;recent gcc version, the newer the
                    better. The Verlet<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; kernels don't<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;benefit much from FMA4, so if you want
                    to, you can use Intel<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Compiler, but then you need to set the
                    acceleration to SSE2<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; (max<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;SSE3 works, but we don't use these
                    instructions).<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;On Wed, Oct 17, 2012 at 11:14 AM,
                    Jochen Hub &lt;<a moz-do-not-send="true"
                      href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>&gt;<br>
                  </div>
                  <div class="im">
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&lt;mailto:<a moz-do-not-send="true"
                      href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>
                    &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>&gt;&gt;&gt;
                    wrote:<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Hi developers,<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;does anyone know how to interpret
                    this icc warning:<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;[ &nbsp;8%]<br>
                    <br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; /home/jhub/src/gromacs/____include/gmx_x86_avx_128_fma.h(____88):
                  <div class="im"><br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;warning #1224: #warning directive:
                    Emulating FMA<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; instructions -<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;this is probably not what you want!<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; #warning Emulating FMA
                    instructions - this is<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; probably not<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;what you want!<br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;This warning is related to a bug in the
                    build system,<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; you'll need to<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;add the -mfma4 flag to the compiler
                    flags manually.<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;--<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Szilard<br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;I am compiling 46-release on a
                    Interlagos 6378 with<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; OpenMPI and<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;icc 13.0.0 20120731. My cmake line
                    is:<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;cmake $gmxsrc \<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DFFTW_LIBRARY=$FFTW_LOCATION/____lib/libfftw3f.a
                  \<br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DFFTW3F_INCLUDE_DIR=$FFTW_____LOCATION/include
                  \<br>
                  <br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DFFTW3F_LIBRARIES=$FFTW_____LOCATION/lib/libfftw3f.a
                  \
                  <div class="im"><br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DCMAKE_INSTALL_PREFIX=$(pwd)
                    \<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DGMX_X11=OFF \<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DCMAKE_CXX_COMPILER=$MPICXX \<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DCMAKE_C_COMPILER=$MPICC \<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DGMX_MPI=ON \<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DGMX_PREFER_STATIC_LIBS=ON \<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; -DGMX_GPU=OFF<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;and cmake reported:<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;-- Performing Test GNU_AVX_CFLAG<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;-- Performing Test GNU_AVX_CFLAG -
                    Success<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;-- Enabling 128-bit AVX Gromacs
                    acceleration (with<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;fused-multiply add), and it will
                    help compiler<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; optimization.<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Thanks a lot,<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Jochen<br>
                    <br>
                    <br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;--<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;------------------------------____---------------------
                  <div class="im"><br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Dr. Jochen Hub<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Computational Molecular Biophysics
                    Group<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Institute for Microbiology and
                    Genetics<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Georg-August-University of
                    G&ouml;ttingen<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Justus-von-Liebig-Weg 11, 37077
                    G&ouml;ttingen, Germany.<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Phone: <a moz-do-not-send="true"
                      href="tel:%2B49-551-39-14189"
                      value="+495513914189" target="_blank">+49-551-39-14189</a>
                    <a class="moz-txt-link-rfc2396E" href="tel:%2B49-551-39-14189">&lt;tel:%2B49-551-39-14189&gt;</a><br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; <a class="moz-txt-link-rfc2396E" href="tel:%2B49-551-39-14189">&lt;tel:%2B49-551-39-14189&gt;</a><br>
                  &nbsp; &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                    href="http://cmb.bio.uni-goettingen."
                    target="_blank">http://cmb.bio.uni-goettingen.</a>____de/<br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&lt;<a moz-do-not-send="true"
                    href="http://cmb.bio.uni-__goettingen.de/"
                    target="_blank">http://cmb.bio.uni-__goettingen.de/</a><br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &lt;<a moz-do-not-send="true"
                    href="http://cmb.bio.uni-goettingen.de/"
                    target="_blank">http://cmb.bio.uni-goettingen.de/</a>&gt;&gt;<br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;------------------------------____---------------------
                  <div class="im"><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;--<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;gmx-developers mailing list<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>
                    &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>&gt;<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                    href="mailto:gmx-developers@" target="_blank">gmx-developers@</a>__<a
                    moz-do-not-send="true" href="http://gromacs.org"
                    target="_blank">gromacs.org</a><br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                    href="mailto:gmx-developers@gromacs.org"
                    target="_blank">gmx-developers@gromacs.org</a>&gt;&gt;<br>
                  &nbsp; &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                    href="http://lists.gromacs.org/____mailman/listinfo/gmx-____developers"
                    target="_blank">http://lists.gromacs.org/____mailman/listinfo/gmx-____developers</a><br>
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                    href="http://lists.gromacs.org/__mailman/listinfo/gmx-__developers"
                    target="_blank">http://lists.gromacs.org/__mailman/listinfo/gmx-__developers</a>&gt;
                  <div class="im"><br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;<a moz-do-not-send="true"
                      href="http://lists.gromacs.org/__mailman/listinfo/gmx-__developers"
                      target="_blank">http://lists.gromacs.org/__mailman/listinfo/gmx-__developers</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;<a moz-do-not-send="true"
                      href="http://lists.gromacs.org/mailman/listinfo/gmx-developers"
                      target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-developers</a>&gt;&gt;<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Please don't post (un)subscribe
                    requests to the list.<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; Use the<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;www interface or send it to<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; gmx-developers-request@__<a
                    moz-do-not-send="true" href="http://groma__cs.org"
                    target="_blank">groma__cs.org</a> &lt;<a
                    moz-do-not-send="true" href="http://gromacs.org"
                    target="_blank">http://gromacs.org</a>&gt;<br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&lt;mailto:<a moz-do-not-send="true"
                    href="mailto:gmx-developers-__request@gromacs.org"
                    target="_blank">gmx-developers-__request@gromacs.org</a>
                  <div class="im"><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers-request@gromacs.org"
                      target="_blank">gmx-developers-request@gromacs.org</a>&gt;&gt;.<br>
                    <br>
                    <br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;--<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;gmx-developers mailing list<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>
                    &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>&gt;<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                    href="mailto:gmx-developers@" target="_blank">gmx-developers@</a>__<a
                    moz-do-not-send="true" href="http://gromacs.org"
                    target="_blank">gromacs.org</a>
                  <div class="im"><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers@gromacs.org"
                      target="_blank">gmx-developers@gromacs.org</a>&gt;&gt;<br>
                    <br>
                    &nbsp; &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                      href="http://lists.gromacs.org/__mailman/listinfo/gmx-__developers"
                      target="_blank">http://lists.gromacs.org/__mailman/listinfo/gmx-__developers</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;<a moz-do-not-send="true"
                      href="http://lists.gromacs.org/mailman/listinfo/gmx-developers"
                      target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-developers</a>&gt;<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Please don't post (un)subscribe
                    requests to the list. Use the<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;www interface or send it to<br>
                    &nbsp; &nbsp; &nbsp; &nbsp; gmx-developers-request@__<a
                      moz-do-not-send="true" href="http://gromacs.org"
                      target="_blank">gromacs.org</a><br>
                    &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                      href="mailto:gmx-developers-request@gromacs.org"
                      target="_blank">gmx-developers-request@gromacs.org</a>&gt;<br>
                  </div>
                  &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&lt;mailto:<a moz-do-not-send="true"
                    href="mailto:gmx-developers-__request@gromacs.org"
                    target="_blank">gmx-developers-__request@gromacs.org</a><br>
                  &nbsp; &nbsp; &nbsp; &nbsp; &lt;mailto:<a moz-do-not-send="true"
                    href="mailto:gmx-developers-request@gromacs.org"
                    target="_blank">gmx-developers-request@gromacs.org</a>&gt;&gt;.
                  <div class="im"><br>
                    <br>
                    <br>
                    <br>
                    <br>
                    <br>
                    &nbsp; &nbsp; --<br>
                    &nbsp; &nbsp; ------------------------------__---------------------<br>
                    &nbsp; &nbsp; Dr. Jochen Hub<br>
                    &nbsp; &nbsp; Computational Molecular Biophysics Group<br>
                    &nbsp; &nbsp; Institute for Microbiology and Genetics<br>
                    &nbsp; &nbsp; Georg-August-University of G&ouml;ttingen<br>
                    &nbsp; &nbsp; Justus-von-Liebig-Weg 11, 37077 G&ouml;ttingen,
                    Germany.<br>
                    &nbsp; &nbsp; Phone: <a moz-do-not-send="true"
                      href="tel:%2B49-551-39-14189"
                      value="+495513914189" target="_blank">+49-551-39-14189</a>
                    <a class="moz-txt-link-rfc2396E" href="tel:%2B49-551-39-14189">&lt;tel:%2B49-551-39-14189&gt;</a><br>
                    &nbsp; &nbsp; <a moz-do-not-send="true"
                      href="http://cmb.bio.uni-goettingen."
                      target="_blank">http://cmb.bio.uni-goettingen.</a>__de/
                    &lt;<a moz-do-not-send="true"
                      href="http://cmb.bio.uni-goettingen.de/"
                      target="_blank">http://cmb.bio.uni-goettingen.de/</a>&gt;<br>
                    &nbsp; &nbsp; ------------------------------__---------------------<br>
                    <br>
                    <br>
                  </div>
                </blockquote>
                <br>
                -- <br>
                <div class="im">
                  ---------------------------------------------------<br>
                  Dr. Jochen Hub<br>
                  Computational Molecular Biophysics Group<br>
                  Institute for Microbiology and Genetics<br>
                  Georg-August-University of G&ouml;ttingen<br>
                  Justus-von-Liebig-Weg 11, 37077 G&ouml;ttingen, Germany.<br>
                  Phone: <a moz-do-not-send="true"
                    href="tel:%2B49-551-39-14189" value="+495513914189"
                    target="_blank">+49-551-39-14189</a><br>
                  <a moz-do-not-send="true"
                    href="http://cmb.bio.uni-goettingen.de/"
                    target="_blank">http://cmb.bio.uni-goettingen.de/</a><br>
                  ---------------------------------------------------<br>
                </div>
                <div class="im">
                  -- <br>
                  gmx-developers mailing list<br>
                  <a moz-do-not-send="true"
                    href="mailto:gmx-developers@gromacs.org"
                    target="_blank">gmx-developers@gromacs.org</a><br>
                </div>
                <a moz-do-not-send="true"
                  href="http://lists.gromacs.org/mailman/listinfo/gmx-developers"
                  target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-developers</a><br>
                Please don't post (un)subscribe requests to the list.
                Use the www interface or send it to <a
                  moz-do-not-send="true"
                  href="mailto:gmx-developers-request@gromacs.org"
                  target="_blank">gmx-developers-request@gromacs.org</a>.<br>
              </blockquote>
            </div>
            <br>
          </div>
        </div>
      </div>
      <br>
      <fieldset class="mimeAttachmentHeader"></fieldset>
      <br>
    </blockquote>
    <br>
  </body>
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