密集使用矩阵乘法的数字处理或科学模拟应用程序
对于我的研究，我们有矩阵乘法的代码，大小在 1000-10000 之间。看起来速度相当快，并且使用 GPU 进行计算。作为家庭作业，我们需要找到具有可用源代码的数字运算应用程序，其瓶颈在于矩阵乘法。我们将将该程序与 GPU 代码连接起来以进行矩阵乘法并测量加速效果。
我的问题是 - 我在哪里可以找到有关此类应用程序的信息，或者您是否可以告诉我其中一些。即使是科学模拟代码也会有所帮助。我们的老师谈到了分子动力学和类似的内容，但我们是计算机科学专业的学生，对此没有经验。
多谢
For my studies, we have code for matrix multiplication, for sizes between 1000-10000. It looks pretty fast, and uses GPU for calculations. As homework we need to find number crunching applications, with available source code, whose bottlenecks are in matrix multiplication. We will connect the program with the GPU code for matrix multiplication and measure speedup.
My question is - where can I find information about such applications, or if you can tell me some of them. Even scientific simulation codes would help. Our teacher talked about Molecular Dynamics and similar, but we are Computer Science students and have no experience with that.
Thanks a lot
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也许这会有所帮助：分子动力学模拟包。
希望有帮助。祝你好运！
Perhaps this will help: Molecular Dynamics Simulation Packages.
Hope that helps. Good luck!
您可以查看 MPQC 量子化学程序，该程序是在 Source Forge 上托管的开源程序。
特别是，您可以尝试用 GPU 等效项替换 mp2 中的矩阵乘法。
一般来说，您可能必须了解程序的内部结构才能连续替换内核。然而，就矩阵乘法而言，mp2 相对简单。
如果您需要更多信息，请发送消息。
you can take a look at MPQC quantum chemistry program, which is open source hosted on source forge.
Particularly, you can try replacing matrix multiplication in mp2 with GPU equivalents.
In general, you may have to know internals of the program to successively replace kernels like that. However mp2 is relatively simple as far as matrix multiplications concerned.
If you need more information, send a message.