Problems about package user-cuda


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The make package-status messages simply mean that
another package (in this case USER-CG-CMM is not
installed, so those USER-CUDA files are not needed.
You can’t build with them unless you install
the other package, so you shouldn’t manually copy
them into the src dir.

The run-time error you are getting is b/c your input
script is incorrect or you need to run it with a
-suffix command-line swtich. All of this is discussed
in section 5.4 of the manual.

Steve

Hi

Two things: the pair_cg*cuda files are not in use right now (they were replaced by pair_lj_sdk*cuda*), which are going to be installed if the corresponding cpu files are there (user-cg-cmm package).
Before updating from svn or git, one should always do a make-no-all in source. Since the repositories only update the package directory files for optional packages and not the files which are copied to src.

Your runtime error is because you are trying to use a cpu only atom_style. You can either specify "-sf cuda" as commandline option or put "suffic cuda" in the script or directly specify e.g. atom_style full/cuda. The first option is strongly recommended. If your desired atom_style does not exist as cuda variant you can probably do a fallback on full/cuda.

Christian

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