<div class="gmail_quote">On Mon, Oct 29, 2012 at 1:05 PM, Carsten Kutzner <span dir="ltr"><<a href="mailto:ckutzne@gwdg.de" target="_blank">ckutzne@gwdg.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="im">On Oct 24, 2012, at 5:59 PM, Carsten Kutzner <<a href="mailto:ckutzne@gwdg.de">ckutzne@gwdg.de</a>> wrote:<br>
> On Oct 24, 2012, at 5:08 PM, Szilárd Páll <<a href="mailto:szilard.pall@cbr.su.se">szilard.pall@cbr.su.se</a>> wrote:<br>
><br>
>> What's your icc version? Perhaps the issue is related to this:<br>
>> <a href="http://software.intel.com/en-us/articles/use-intel-cc-compilers-v1201107-or-higher-version-to-resolve-error-when-preprocessing-and-then-compiling-c-language-code-which-included-mathh-or-mathimfh-header" target="_blank">http://software.intel.com/en-us/articles/use-intel-cc-compilers-v1201107-or-higher-version-to-resolve-error-when-preprocessing-and-then-compiling-c-language-code-which-included-mathh-or-mathimfh-header</a><br>
> Ah, that is likely. We have 12.0.0 -> upgrading tomorrow…<br>
</div>Yes, with icc 13.0.1 it works fine. (if the gnu c compiler is not 4.1.2!).<br></blockquote><div><br></div><div>I guess you mean the gcc compatibility mode icc works in. You can set that with -gcc-version=XYZ.</div>
<div><br></div><div>--<br>Szilárd<br></div><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<span class="HOEnZb"><font color="#888888"><br>
Carsten<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
> Thanks a lot!!<br>
><br>
> Carsten<br>
><br>
>> --<br>
>> Szilárd<br>
>><br>
>><br>
>> On Wed, Oct 24, 2012 at 2:46 PM, Carsten Kutzner <<a href="mailto:ckutzne@gwdg.de">ckutzne@gwdg.de</a>> wrote:<br>
>> On 10/24/2012 02:21 PM, Roland Schulz wrote:<br>
>>><br>
>>><br>
>>> On Wed, Oct 24, 2012 at 7:45 AM, Mirco Wahab <<a href="mailto:mirco.wahab@chemie.tu-freiberg.de">mirco.wahab@chemie.tu-freiberg.de</a>> wrote:<br>
>>> Am 24.10.2012 13:02, schrieb Szilárd Páll:<br>
>>>> On 10/20/2012 07:46 PM, Szilárd Páll wrote:<br>
>>>>> On Sat, Oct 20, 2012 at 5:43 PM, Mirco Wahab <<a href="mailto:wahab-mail@gmx.de">wahab-mail@gmx.de</a>> wrote:<br>
>>>>><br>
>>>>> icc 13.0.0 CUDA5 build fail, -<br>
>>>>><br>
>>>>><br>
>>>>> That should work out of the box -- unless you're using an fftw<br>
>>>>> that is older than 3.3.1. What error are yo getting?<br>
>>>><br>
>>>> is icc 13 required for building 4.6 with GPU support or should icc<br>
>>>> 12 do as well?<br>
>>>><br>
>>>> I'm ont entirely sure about the officially supported versions, but both<br>
>>>> 12 and 13 work fine.<br>
>>><br>
>>> 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>
>>> Any combination of these flags should work. Let us know if you have some combination which reproducible fails.<br>
>> Hi,<br>
>><br>
>> I cannot get it compiled at all with icc, see below.<br>
>><br>
>> Best,<br>
>> 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>
>> [ 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"<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>
>> Error generating file<br>
>> /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>
>><br>
>>> Roland<br>
>>><br>
>>> So all is ok now. Thanks!<br>
>>><br>
>>> M.<br>
>>><br>
>>> --<br>
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>>><br>
>>><br>
>>><br>
>>><br>
>>><br>
>>><br>
>>><br>
>>> --<br>
>>> ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov" target="_blank">cmb.ornl.gov</a><br>
>>> 865-241-1537, ORNL PO BOX 2008 MS6309<br>
>>><br>
>>><br>
>><br>
>><br>
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><br>
><br>
> --<br>
> Dr. Carsten Kutzner<br>
> Max Planck Institute for Biophysical Chemistry<br>
> Theoretical and Computational Biophysics<br>
> Am Fassberg 11, 37077 Goettingen, Germany<br>
> Tel. <a href="tel:%2B49-551-2012313" value="+495512012313">+49-551-2012313</a>, Fax: <a href="tel:%2B49-551-2012302" value="+495512012302">+49-551-2012302</a><br>
> <a href="http://www.mpibpc.mpg.de/grubmueller/kutzner" target="_blank">http://www.mpibpc.mpg.de/grubmueller/kutzner</a><br>
><br>
> --<br>
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<br>
<br>
--<br>
Dr. Carsten Kutzner<br>
Max Planck Institute for Biophysical Chemistry<br>
Theoretical and Computational Biophysics<br>
Am Fassberg 11, 37077 Goettingen, Germany<br>
Tel. <a href="tel:%2B49-551-2012313" value="+495512012313">+49-551-2012313</a>, Fax: <a href="tel:%2B49-551-2012302" value="+495512012302">+49-551-2012302</a><br>
<a href="http://www.mpibpc.mpg.de/grubmueller/kutzner" target="_blank">http://www.mpibpc.mpg.de/grubmueller/kutzner</a><br>
<br>
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</div></div></blockquote></div><br>