[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
error : identifier "c_oneSixth" is undefined in device code
2>" and
error : identifier "c_oneTwelveth" is undefined in device code
2>". Besides, I checked this error by google,here (
website also asked this error message but no got correct solution.
Please help me to solve this problem

Yujie Liu

More information about the gromacs.org_gmx-users mailing list