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Re: [lammps-users] Compiling LAMMPS with KOKKOS/CUDA
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Re: [lammps-users] Compiling LAMMPS with KOKKOS/CUDA

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 5 Sep 2017 15:21:39 -0400

On Tue, Sep 5, 2017 at 1:59 PM, qizhang jia <qj3fe@...2562...> wrote:
Hi All,

I'm trying to compiling LAMMPS with KOKKOS/CUDA package. But I'm seeing an error message as follows.

ld: library not found for -lcuda

clang: error: linker command failed with exit code 1 (use -v to see invocation)

make[1]: *** [../lmp_kokkos_cuda] Error 1

make: *** [kokkos_cuda] Error 2

I've tried to locate the -lcuda library but did not find it anywhere. The CUDA version I'm using is 8.0.61. I was wondering if anyone has encountered this before?

​ is normally part of the cuda *driver*, not the toolkit. however, if you have CUDA 8.x installed you should have a suitable "stub" library in -L$(CUDA_HOME)/lib64/stubs

that should be sufficient for linking. you will probably have to adapt your makefile accordingly.
btw: there is no Makefile.kokkos_cuda in the current LAMMPS distribution, only Makefile.kokkos_cuda_mpich and Makefile.kokkos_cuda_openmpi,

so you may need to update your LAMMPS version, too. KOKKOS support is under very active development and you should always update to the latest version (at least to the latest stable version).




Qizhang Jia
DuBay Research Group
University of Virginia

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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.