David Koes
David Koes
You should get something like this: ``` $ objdump -a /usr/lib/x86_64-linux-gnu/librt.a In archive /usr/lib/x86_64-linux-gnu/librt.a: aio_cancel.o: file format elf64-x86-64 rw-r--r-- 0/0 2984 Dec 31 19:00 1969 aio_cancel.o aio_error.o: file format elf64-x86-64...
Try the cuda-11.2 binary (https://github.com/gnina/gnina/releases/download/v1.0.1/gnina.cuda-11.2) It sounds like changes were made to libc. Maybe what is needed is upgrading to the newest version of cmake which hopefully has been updated...
What is your GPU?
@Luc1100 Can you figure out how to get gnina building on the latest ubuntu please?
It can't find the cublas library. Set `CUDA_cublas_LIBRARY` to its location. Your conda libraries are also conflicting with your system libraries so I would recommend fixing that too.
You can see that the libmolgrid directory is part of the include, so the directory should be `-DLIBMOLGRID_INCLUDE_DIR=/mnt/shared/releases/compiled/Libmolgrid/include` without the libmolgrid at the end.
You should only have to specify OpenBabel3_DIR. The SOURCE_DIR definitely isn't needed. I can't tell you exactly what is wrong without access to your system, but the way to approach...
coordgen and maeparser are often problematic. My recommendation is to build openbabel3 without them (` -DWITH_MAEPARSER=NO -DWITH_COORDGEN=NO`)
It's a lot of effort to update to the new API and I haven't yet found the time to do it. You can use cuDNN 7 with newer CUDA as...
Looks like you don't have boost_python installed (or at least not the right version).