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Sion_Wang

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注册: 2014-04-24
性别: GG
专业: 理论和计算化学

[求助] NAMD CUDA版本在Windows下运行异常求助

由于微星笔记本主板的一些坑，我的笔记本没办法安装Linux，于是只能选择在Windows下跑模拟。

目前希望能使用NAMD的CUDA版本，但是在运行示例时出现了很奇怪的现象：

引用回帖:

......
LDB: Central LB being created...
CUDA device 0 stream priority range 0 -1
Info: Startup phase 9 took 0.000999928 s, 137.801 MB of memory in use
Info: CREATING 430 COMPUTE OBJECTS
Info: Found 213 unique exclusion lists needing 616 bytes
Pe 4 hosts 0 local and 3 remote patches for pe 4
Pe 1 hosts 0 local and 4 remote patches for pe 4
Pe 0 hosts 0 local and 4 remote patches for pe 4
Pe 5 hosts 0 local and 3 remote patches for pe 4
Pe 6 hosts 0 local and 4 remote patches for pe 4
Pe 7 hosts 0 local and 4 remote patches for pe 4
Pe 3 hosts 0 local and 2 remote patches for pe 4
Pe 2 hosts 0 local and 3 remote patches for pe 4
Info: useSync: 0 useProxySync: 0
Info: Startup phase 10 took 0.00300002 s, 140.129 MB of memory in use
Info: Startup phase 11 took 0.000999928 s, 140.129 MB of memory in use
Info: Startup phase 12 took 0 s, 144.016 MB of memory in use
Info: Finished startup at 1.036 s, 144.156 MB of memory in use

TCL: Minimizing for 100 steps

log卡在了能量最小化的地方，无法继续计算，不报任何错误，也没有任何CPU占用。相对地，对于同一计算任务，多核版的NAMD可以正常运算并返回结果。

这个问题让我十分摸不着头脑，在此请求各位伸出援手。

注：CUDA安装没有任何问题，可以正常编译.cu文件，进行矩阵运算。

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