lammps-packages | supporting libraries and files for building pre | Build Tool library
kandi X-RAY | lammps-packages Summary
kandi X-RAY | lammps-packages Summary
Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages.
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Trending Discussions on lammps-packages
QUESTION
I installed LAMMPS on WIndows 10 to perform calculations on the GPU. Calculations on a very small scale completed without any problems, but when calculating a structure of some scale, I got the following error.
OpenCL error in file '/home/akohlmey/compile/lammps-packages/mingw-cross/lammps/lib/gpu/geryon/ocl_kernel.h' in line 467 : -4.
What kind of operation can I do to solve this? My English is poor, but thank you for your kindness.
...ANSWER
Answered 2021-Apr-21 at 11:38Error code -4
hints to failed memory allocation, especially if not enough memory is available on the device. Maybe your calculations require too much memory. Also check if you selected the correct device (dedicated GPU rather than CPU or integrated graphics with small memory capacity).
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Install lammps-packages
You can use lammps-packages like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.
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