Merge with GROMACS 2020
BerndDoser opened this issue · 10 comments
Annual merge to the next major version.
Do you have an estimate on when this will happen?
I am planning to build upon this, but would like to wait for the merge if it is coming soon and I can't build the current version due to linking errors with openMP.
If there is anything I can help with, let me know.
The merge basically finished. I only have to organize the unit tests. I hope that I can release it in next days. Knowing that you are waiting for it let me hurry up.
With which version do you have linking issues?
Thats gromacs 2019.3. I worked around it by disabling the OpenMP variable in the cmake-file. Building gromacs 2020.3 works fine.
Besides this, since what you have done here is similar to what we want to build I would be happy to have a chat about your experiences, if time permits.
Do you have the OpenMP issue only for GROMACS-FDA or also for the unchanged GROMACS version?
Of course, chat is possible. Would tomorrow morning around 10 a.m. be suitable for you?
I have the issue also for the unchanged GROMACS version, nothing on your end.
If possible, I would prefer early afternoon around 1 p.m..
Great! Then let us fix tomorrow 1:30 p.m. I will send my contact data via mail.
I am also keen on using the GROMACS 2020.1 merge.
It's almost finished and will be released this week.
Thanks for the release! Can you tell me which gromacs version you merged with ( or the commit SHA? )