LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] [EXTERNAL] Re: Compiling LAMMPS with KOKKOS/CUDA
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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


From: qizhang jia <qj3fe@...2562...>
Date: Tue, 5 Sep 2017 18:17:56 -0400

Axel,

Thanks for your reply. Actually I used the template "Makefile.kokkos_cuda_openmpi" and renamed it "Makefile.kokkos_cuda" after editing.

I reinstalled CUDA driver 8.0.90, my LAMMPS version is current, 11-Aug-17, and I'm still seeing the same error message.

Also, I thought maybe its the OS problem, and tried to install on my local Mac, which has an Nvidia GT750M capable to install CUDA. But it still complains about not finding the -lcuda library after I installed both the toolkit and the driver. I didn't find anything related to this issue in the mail list. I was wondering if you have any suggestions.

Thanks,

Qizhang Jia
DuBay Research Group
University of Virginia

On Tue, Sep 5, 2017 at 4:07 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:


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@...42...e.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


------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...655....net
https://lists.sourceforge.net/lists/listinfo/lammps-users



 

--

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