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Updates to README and Makefile's in the GPU package #1807

merged 3 commits into from Dec 19, 2019


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ndtrung81 commented Dec 12, 2019


Update README and the Makefile's in lib/gpu with -L$(CUDA_HOME)/lib64/stubs so that in the recent versions of the CUDA toolkit can be found during linking


Trung Nguyen (Northwestern)


By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

Backward Compatibility


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Post Submission Checklist

Please check the fields below as they are completed after the pull request has been submitted. Delete lines that don't apply

  • The feature or features in this pull request is complete
  • Licensing information is complete
  • Corresponding author information is complete
  • The source code follows the LAMMPS formatting guidelines
  • Suitable new documentation files and/or updates to the existing docs are included
  • The added/updated documentation is integrated and tested with the documentation build system
  • The feature has been verified to work with the conventional build system
  • The feature has been verified to work with the CMake based build system
  • A package specific README file has been included or updated
  • One or more example input decks are included
@ndtrung81 ndtrung81 requested a review from rbberger Dec 12, 2019
@rbberger rbberger self-assigned this Dec 12, 2019
@rbberger rbberger requested a review from akohlmey Dec 12, 2019
@rbberger rbberger assigned akohlmey and rbberger and unassigned rbberger and akohlmey Dec 12, 2019

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rbberger commented Dec 12, 2019

The same issue happens with CMake. Not sure if we want to add something equivalent to the CMake build or just document the workaround by setting CMAKE_LIBRARY_PATH or CUDA_CUDA_LIBRARY directly. Comments?


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ndtrung81 commented Dec 13, 2019

I would go with documenting the workaround by setting CUDA_CUDA_LIBRARY directly.

@rbberger rbberger assigned akohlmey and unassigned rbberger Dec 13, 2019
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akohlmey left a comment

There is one incorrect use of the stubs path.

@@ -4,7 +4,7 @@ EXTRAMAKE = Makefile.lammps.standard
CUDA_ARCH = -arch=sm_35
CUDA_LIB = -L$(CUDA_HOME)/lib64 -Xlinker -rpath -Xlinker $(CUDA_HOME)/lib64 -lcudart
CUDA_LIB = -L$(CUDA_HOME)/lib64 -Xlinker -rpath -Xlinker $(CUDA_HOME)/lib64/stubs -lcudart

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akohlmey Dec 17, 2019


This change is incorrect. You do not want to encode the CUDA stubs folder as rpath into an executable, you only want to use the stub folder for linking. At runtime you want the real libraries, not the stubs.

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ndtrung81 Dec 17, 2019

Author Contributor

You are right, sorry for the mistake.

@akohlmey akohlmey merged commit 8283e68 into lammps:master Dec 19, 2019
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