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which version is single-precision computing #794

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university12138 opened this issue Nov 22, 2024 · 3 comments
Open

which version is single-precision computing #794

university12138 opened this issue Nov 22, 2024 · 3 comments

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@university12138
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Hello developer, I want to ask which version is single-precision computing, thank you!

@brucefan1983
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Could you give more details to your question?

@university12138
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Because when I calculate the thermal conductivity of silicon with a length of 2000 nm, the potential function is sw. Because my calculation time is relatively long, the cluster has a limit on the calculation time, resulting in the calculation of 2000 nm cannot be completed, so I want to use the gpumd version of single-precision calculation to solve the calculation time problem.

@brucefan1983
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Perhaps there is no released version with pure single precision in MD part. I think you need to modify code to achieve it.

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