CUDA版本问题

[SyntaxSmith]

Describe the bug

现在cuda版我观察到的有 1 好像多卡没用上，体系比较大的时候Mpirun -n 不能开大，所有进程占用显存会挤在第一张卡上 2 docker版似乎不能用OMP多线程，进程cpu占用率长期是100%，手动指定环境变量也无效，但是多进程会爆显存 3 conda版会报oom，xxmr2d:out of memory

Expected behavior

No response

To Reproduce

No response

Environment

No response

Additional Context

以上所有bug都是预编译版，我在请运维本地编译，我会在编译完成后重新测试。

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[mohanchen]

Thanks for your advice, would you like to propose a new issue on deepmodeling/abacus?(https://github.com/deepmodeling/abacus-develop) We will discuss issues there.