[gmx-users] Windows10+Visual studio 2017+CUDA8.0+Gromacs-2016.4 package

Mark Abraham mark.j.abraham at gmail.com
Mon Feb 5 11:03:08 CET 2018


I have had a quick look at the code, and don't see how your context could
lead to this issue. But I have a theory that a necessary include file got
changed as we updated code from the 5.1 branch to the 2016 branch. If I'm
right, then if you get the code from the download link at
https://gerrit.gromacs.org/c/7538/ then your build might either succeed, or
give a different issue. Feedback would be welcome :-)


On Mon, Feb 5, 2018 at 10:15 AM yujie Liu <liuyujie714 at gmail.com> wrote:

> Hello,every one;
> Now, I am trying to build a windows version of gromacs with CUDA8.0. In
> deed, according to some information from GROMACS official website and other
> experience, and I have already built some version of gromacs 5.1.x and its
> GPU version or 2016.x with CPU. However, I meet some error messages while
> using CUDA to build 2016.x-gromacs by Visual studio 2017 and intel MKL and
> cmake packages,etc. In detail error shows
> following:"E:/User-software/gromacs-2016.4/src\gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_fermi.cuh(406):
> error : identifier "c_oneSixth" is undefined in device code
> 2>" and
> "E:/User-software/gromacs-2016.4/src\gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_fermi.cuh(406):
> error : identifier "c_oneTwelveth" is undefined in device code
> 2>". Besides, I checked this error by google,here (
> https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-developers/2016-December/009424.html
> )
> website also asked this error message but no got correct solution.
> Please help me to solve this problem
> Thanks,
> Yujie Liu
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