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How to run vina-gpu on windows 10 #1

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bioleo opened this issue Nov 22, 2021 · 2 comments
Closed

How to run vina-gpu on windows 10 #1

bioleo opened this issue Nov 22, 2021 · 2 comments

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@bioleo
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bioleo commented Nov 22, 2021

How to run vina-gpu on windows 10. I tried to use this software, and it felt unusable. The error appeared Platform: NVIDIA CUDACould not open file: C:\Users\ADMINI~1\AppData\Local\Temp\dep-c25713.d. How did this error happen? ? How should I configure my computer to use vina-gpu on windows 10? Can you describe in detail how to set these steps? E.g:
add ./lib ./OpenCL/inc $(YOUR_BOOST_LIBRARY_PATH)/boost $(YOUR_CUDA_TOOLKIT_LIBRARY_PATH)/CUDA/v11.5/include in the include directories;

add $(YOUR_BOOST_LIBRARY_PATH)/stage/lib $(YOUR_CUDA_TOOLKIT_PATH)/CUDA/lib/Win32in the addtional library;

add OpenCL.lib in the additional dependencies。

@Glinttsd
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Hi, we are sorry for the inconvenience, Vina-GPU is still under developing and we are glad to hear any feedback. We recently updated our readme, please check it out. For Windows users, on the first run of Vina-GPU, we recommand you to run Vina-GPU-K.exe directly with the command ./Vina-GPU-K.exe --config ./input_file_example/2bm2_config.txt to run Vina-GPU on our example complex. Once succeed, you should see the docking result file and Kernel2_Opt.bin file. After that, you can run Vina-GPU.exe with a similar command to run Vina-GPU without compiling the kernel file (thus to save runtime). If you want to build Vina-GPU from source code, we recommand you to use Visual Studio 2019. If you are not familiar with Visual Studio 2019, please check this tutorial. Best regards!

@bioleo
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bioleo commented Nov 30, 2021

thank you very much! This software is running very well!

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