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Autodock Vina-GPU2.0 test run error issue #38

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suniltripathi01 opened this issue Jan 13, 2025 · 0 comments
Open

Autodock Vina-GPU2.0 test run error issue #38

suniltripathi01 opened this issue Jan 13, 2025 · 0 comments

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@suniltripathi01
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I have installed Vina-GPU2.0 using boost 1.82.0 and CUDA 12.3 on a CENT OS 7 workstation. During the test run I faced below issue.
$ ./Vina-GPU --config ./input_file_example/2bm2_config.txt
#################################################################

If you used Vina-GPU in your work, please cite:

#Shidi, Tang, Chen Ruiqi, Lin Mengru, Lin Qingde, #
#Zhu Yanxiang, Wu Jiansheng, Hu Haifeng, and Ling Ming. #
#Accelerating AutoDock VINA with GPUs. ChemRxiv (2021).Print. #

#DOI 10.26434/chemrxiv-2021-3qvn2-v3 #

And also the origin AutoDock Vina paper:

O. Trott, A. J. Olson,

AutoDock Vina: improving the speed and accuracy of docking

with a new scoring function, efficient optimization and

multithreading, Journal of Computational Chemistry 31 (2010)

455-461

DOI 10.1002/jcc.21334

#################################################################

Using virtual sreening mode

Output will be in the directory ./test_out
Reading input ... done.
Setting up the scoring function ... done.
Using heuristic search_depth
Analyzing the binding site ... done.

Err-1001:CL_PLATFORM_NOT_FOUND_KHR

It would be a great help and suggestion to resolve the issue.

Best Regards,
Sunil

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