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Re: [lammps-users] GPU package
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Re: [lammps-users] GPU package


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 20 May 2018 15:13:40 -0400



On Sun, May 20, 2018 at 2:51 PM, Julian Kerr <julian.kerr@...33....7646...> wrote:
I installed the GPU package according to the instruction given at http://lammps.sandia.gov/doc/accelerate_gpu.html
 
Everything went smoothly and when I run the command
 
mpirun lmp_ubuntu -pk gpu 1 -in in.Li-dendritic.nvt
 
the calculaton works well (though I doubt if it is by GPU) but when I run the command

​it won't run on the GPU unless you explicitly request pair styles with names ending in /gpu that input
 
 
mpirun lmp_ubuntu -sf gpu -pk gpu 1 -in in.Li-dendritic.nvt

​that will try to find /gpu styles, even if they are not explicitly named, by appending /gpu to every style name and falling back to ​non-gpu versions, if gpu variants are not available. please see the LAMMPS manual for more details on this.
 
 
I receive the error:
LAMMPS (16 Mar 2018)
Cuda driver error 999 in call at file 'geryon/nvd_device.h' in line 273.
Cuda driver error 999 in call at file 'geryon/nvd_device.h' in line 273.
Cuda driver error 999 in call at file 'geryon/nvd_device.h' in line 273.
Cuda driver error 999 in call at file 'geryon/nvd_device.h' in line 273.

​what kind of GPU do you have? did you compile for CUDA or OpenCL? what version of CUDA - if any - did you use? what are the compiler/GPU settings in your lib/gpu compilation?​

​axel.​

 
 

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.