David Koes
David Koes
I just added support for cudnn8 and haven't updated the dockerfile yet. The check is actually overly agressive - cudnn7 should still work. I've pushed a rollback of the check...
I think the issue is I've been keeping the build system up-to-date with newer card versions but not updated the dockerfiles appropriately. If you don't mind running a newer operating...
Those errors don't make sense to me (the file works for me). May there's an issue with copying and pasting. Try the actual file: https://github.com/gnina/gnina/blob/master/docker/ubuntu-22.04/Dockerfile
Maybe issues with your network or running out of space? Those are pretty standard packages apt can’t find…
Put all the molecules in lig.sdf.
That is certainly not the expected output. Can you share the input files?
This is the expected result. Non-polar hydrogens are removed.
The system libraries are being reported as incompatible with the CUDA libraries. Can you compile other CUDA code?
Can you provide the complete output of `make VERBOSE=1` Do the incompatible libraries exist? Perhaps you are missing the static versions of these libraries.
What's the output of `objdump -a /usr/lib/x86_64-linux-gnu/librt.a`?