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    <div class="moz-cite-prefix">On 10/24/2012 02:21 PM, Roland Schulz
      wrote:<br>
    </div>
    <blockquote
cite="mid:CAO2Twb=rDA7iyotXjvD16Ny=JsTRDacbkU7UdLNTpuzdrsQpbQ@mail.gmail.com"
      type="cite">
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      <div class="gmail_quote">On Wed, Oct 24, 2012 at 7:45 AM, Mirco
        Wahab <span dir="ltr">&lt;<a moz-do-not-send="true"
            href="mailto:mirco.wahab@chemie.tu-freiberg.de"
            target="_blank">mirco.wahab@chemie.tu-freiberg.de</a>&gt;</span>
        wrote:<br>
        <blockquote class="gmail_quote" style="margin:0 0 0
          .8ex;border-left:1px #ccc solid;padding-left:1ex">Am
          24.10.2012 13:02, schrieb Szil&aacute;rd P&aacute;ll:<br>
          <div class="im">&gt; &nbsp;On 10/20/2012 07:46 PM, Szil&aacute;rd P&aacute;ll
            wrote:<br>
            &gt;&gt; &nbsp;On Sat, Oct 20, 2012 at 5:43 PM, Mirco Wahab &lt;<a
              moz-do-not-send="true" href="mailto:wahab-mail@gmx.de">wahab-mail@gmx.de</a>&gt;
            wrote:<br>
            &gt;&gt;<br>
          </div>
          <div class="im">&gt;&gt; &nbsp; &nbsp; &nbsp; &nbsp; icc 13.0.0 CUDA5 &nbsp; &nbsp; &nbsp; &nbsp;build
            fail, &nbsp; &nbsp;-<br>
            &gt;&gt;<br>
            &gt;&gt;<br>
            &gt;&gt; &nbsp; &nbsp; That should work out of the box -- unless
            you're using an fftw<br>
            &gt;&gt; &nbsp; &nbsp; that is older than 3.3.1. What error are yo
            getting?<br>
            &gt;<br>
          </div>
          <div class="im">&gt; &nbsp; &nbsp; is icc 13 required for building 4.6
            with GPU support or should icc<br>
            &gt; &nbsp; &nbsp; 12 do as well?<br>
            &gt;<br>
            &gt; I'm ont entirely sure about the officially supported
            versions, but both<br>
            &gt; 12 and 13 work fine.<br>
            <br>
          </div>
          I retestet CUDA5 + icc13 on x64-Linux (OpenSuSE) and it builds<br>
          perfectly, as you expected. My error from test before may have<br>
          resulted from a unlucky combination of GMX_PREFER_STATIC_LIBS<br>
          and BUILD_SHARED_LIBS in my build script.<br>
        </blockquote>
        <div>Any combination of these flags should work. Let us know if
          you have some combination which reproducible fails.</div>
      </div>
    </blockquote>
    Hi,<br>
    <br>
    I cannot get it compiled at all with icc, see below.<br>
    <br>
    Best,<br>
    &nbsp; Carsten<br>
    <br>
    <br>
    mkdir build<br>
    cd build<br>
    source /usr/local/intel/ics/compilerpro-12.0.0.084/bin/iccvars.sh
    intel64<br>
    export
    ICC=/usr/local/intel/ics/composerxe-2011.0.084/bin/intel64/icc<br>
    export
    ICPC=/usr/local/intel/ics/composerxe-2011.0.084/bin/intel64/icpc<br>
    module add MPIBPC/cuda-5.0.35<br>
    <br>
    cmake .. \<br>
    -DCMAKE_C_COMPILER=$ICC \<br>
    -DCMAKE_CXX_COMPILER=$ICPC<br>
    <br>
    <br>
    [&nbsp; 0%] Building NVCC (Device) object
    src/gmxlib/cuda_tools/./cuda_tools_generated_pmalloc_cuda.cu.o<br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(235):
    error: omission of exception specification is incompatible with
    previous function "__isinff"&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6073):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(236):
    error: omission of exception specification is incompatible with
    previous function "__isinf"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6087):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(238):
    error: omission of exception specification is incompatible with
    previous function "__isinfl"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6410):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(245):
    error: omission of exception specification is incompatible with
    previous function "__isnanf"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6074):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(246):
    error: omission of exception specification is incompatible with
    previous function "__isnan"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6086):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(248):
    error: omission of exception specification is incompatible with
    previous function "__isnanl"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6411):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(275):
    error: omission of exception specification is incompatible with
    previous function "__finitef"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6084):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(276):
    error: omission of exception specification is incompatible with
    previous function "__finite"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6083):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(278):
    error: omission of exception specification is incompatible with
    previous function "__finitel"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6409):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(285):
    error: omission of exception specification is incompatible with
    previous function "__signbitf"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6090):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(286):
    error: omission of exception specification is incompatible with
    previous function "__signbit"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6085):
    here<br>
    <br>
    /sw/cluster/intel/ics/composerxe-2011.0.084/compiler/include/math.h(288):
    error: omission of exception specification is incompatible with
    previous function "__signbitl"<br>
    /usr/local/cuda/cuda50/toolkit/5.0.35/include/math_functions.h(6403):
    here<br>
    <br>
    /usr/include/c++/4.1.2/bits/cpp_type_traits.h(358): error: expected
    an identifier<br>
    <br>
    /usr/include/c++/4.1.2/bits/cpp_type_traits.h(371): error: expected
    an identifier<br>
    <br>
    14 errors detected in the compilation of
    "/tmp/tmpxft_00000dbc_00000000-9_pmalloc_cuda.compute_30.cpp1.ii".<br>
    CMake Error at
    CMakeFiles/cuda_tools_generated_pmalloc_cuda.cu.o.cmake:256
    (message):<br>
    &nbsp; Error generating file<br>
    &nbsp;
/home/ckutzne/installations/gromacs/build/src/gmxlib/cuda_tools/./cuda_tools_generated_pmalloc_cuda.cu.o<br>
    <br>
    <br>
    make[2]: ***
    [src/gmxlib/cuda_tools/./cuda_tools_generated_pmalloc_cuda.cu.o]
    Error 1<br>
    make[1]: *** [src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/all]
    Error 2<br>
    make: *** [all] Error 2<br>
    <br>
    <br>
    <br>
    <blockquote
cite="mid:CAO2Twb=rDA7iyotXjvD16Ny=JsTRDacbkU7UdLNTpuzdrsQpbQ@mail.gmail.com"
      type="cite">
      <div class="gmail_quote">
        <div>Roland&nbsp;</div>
        <blockquote class="gmail_quote" style="margin:0 0 0
          .8ex;border-left:1px #ccc solid;padding-left:1ex">
          <br>
          So all is ok now. Thanks!<br>
          <span class="HOEnZb"><font color="#888888"><br>
              M.<br>
            </font></span>
          <div class="HOEnZb">
            <div class="h5"><br>
              --<br>
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              <br>
              <br>
            </div>
          </div>
        </blockquote>
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      </div>
      -- <br>
      ORNL/UT Center for Molecular Biophysics <a moz-do-not-send="true"
        href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>
      865-241-1537, ORNL PO BOX 2008 MS6309<br>
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