Greetings,
I'm trying to compile rosetta on my $SCRTACH directory in a HPC using a conda environment (Python 3.7) to use Scons. But all I get is the following error message:
scons: *** [build/src/release/linux/3.10/64/x86/gcc/12.2/mpi/AbinitioRelax.mpi.linuxgccrelease] TypeError `File /shared/software/cuda/11.7/lib64/libcufft.so.10 found where directory expected.' trying to evaluate `${_concat(LIBDIRPREFIX, LIBPATH, LIBDIRSUFFIX, __env__, RDirs, TARGET, SOURCE)}'
scons: building terminated because of errors.
This is the following modules I have available:
module load lang/gcc/12.2.0
module load parallel/cuda/12.3
module load parallel/openmpi/4.1.5_gcc122
./scons.py -j8 mode=release extras=mpi bin
Can someone help me solve this issue?
It looks like the issue is related to the CUDA libraries.
The MPI build should not require CUDA. You may want to try compiling in an environment where you don't load the CUDA module, and see if that fixes things.
The other thing to check is the LD_LIBRARY_PATH environment variable. The Rosetta/main/source/tools/build/site.settings file loads it in for looking for external libraries. Normally that's a list of directories, but if for some reason you have a specific library there (e.g. /shared/software/cuda/11.7/lib64/libcufft.so.10) that might mess things up. You may want to talk with your sysadmins about the module load settings, and possibly changing that to just the directory, instead of directly pointing at a file.) -- Failing that, you could potentially update the Rosetta/main/source/tools/build/site.settings file to try to get around the issue (it's effectively a Python script).