deepmd-kit icon indicating copy to clipboard operation
deepmd-kit copied to clipboard
verified publisher icon deepmodeling

[Feature Request] GROMACS patch for 2020.4

Open AnuragKr opened this issue 3 years ago • 0 comments

Summary

Currently, the GROMACS patch is for 2020.2 and is not properly compatible with CUDA 11. Please provide a patch for 2020.4 if possible as this solved the compatibility issues.

Detailed Description

Problem --- 1.) gmx_1 I solved the above issue by making changes in gmxManageNvccConfig.cmake file. But such issues solved in 2020.4 version.

2.) Command --

make check

Error --

gmx_2

To solve above issue need to downgrade CUDA to 10 as per this link.

Further Information, Files, and Links

No response

AnuragKr avatar Dec 26 '22 10:12 AnuragKr