I resolved the issue by editing the CudaConfig.cmake file and specifying 11.8 as the highest cuda version to accept. I think I am using old installation files from 2022.
I then ran into some python errors trying to build numpy with my python3.10. I got past those by eliminating the requirement to install numpy==1.19.5 , scipy==1.5.4 and matplotlib==3.3.4 . I just pip installed the latest versions of each.
I should probably start from scratch with latest install files. But I now have an executable working and will wait for user testing before doing that :-)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 15 2023 - 06:00:02 PST
