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


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 5 Sep 2017 16:07:17 -0400



On Tue, Sep 5, 2017 at 4:01 PM, Moore, Stan <stamoor@...3...> wrote:

You may also need to link on a compute node if the head/build node doesn’t have the driver.


​stan,

with cuda 8.0 and beyond this is no longer needed. please have a look into the "stubs" folder under ${CUDA_HOME}/lib64​

have just used those stub libraries from the cuda toolkit successfully when compiling LAMMPS executables for the new HPC cluster at temple.
the driver libraries should only be needed for cuda toolkit installations that come without the "stubs" folder.

also, compute nodes often do not have a full installation, so if one needs the cuda driver, i.e. libcuda.so, i copy it from a compute node into my compilation folder and then compile on the head node of the cluster. 

axel.



 

 

From: Axel Kohlmeyer [mailto:akohlmey@...24...]
Sent: Tuesday, September 05, 2017 1:22 PM
To: qizhang jia <qj3fe@...2562...>
Cc: LAMMPS <lammps-users@...396...sourceforge.net>
Subject: [EXTERNAL] Re: [lammps-users] Compiling LAMMPS with KOKKOS/CUDA

 

 

 

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?

 

libcuda.so 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).

 

axel.

 

 

 

Thanks,

 

Qizhang Jia

DuBay Research Group

University of Virginia


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--

Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.




--
Dr. Axel Kohlmeyer  akohlmey@...92......  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.