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

yujie Liu liuyujie714 at gmail.com
Mon Feb 5 10:15:11 CET 2018


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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