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I have compiled the Vina-GPU-2.1 in a Ubuntu 20 system (GPU) following the instructions with cuda 11.4 and boost 1.77 version, but face this error when trying to test the example.
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.
GPU Platform: NVIDIA CUDA
GPU Device: Quadro RTX 6000
GPU Device: Quadro RTX 6000
Using random seed: -1739828047
Err-9999:Unknown OpenCL error
I try to change the ./Makefile content :OPENCL VERSION=-DOPENCL 3 0 ===> OPENCL VERSION=-DOPENCL 2 0
But it's not useful
Otherwise
here is 'clinfo' output
NOTE: your OpenCL library only supports OpenCL 2.2,
but some installed platforms support OpenCL 3.0.
Programs using 3.0 features may crash
or behave unexpectedly
The text was updated successfully, but these errors were encountered:
I have compiled the Vina-GPU-2.1 in a Ubuntu 20 system (GPU) following the instructions with cuda 11.4 and boost 1.77 version, but face this error when trying to test the example.
#################################################################
If you used AutoDockVina-GPU 2.1 in your work, please cite:
Ding, Ji, et al. Vina-GPU 2.0: Further Accelerating AutoDock
Vina and Its Derivatives with Graphics Processing Units.
Journal of Chemical Information and Modeling (2023).
DOI https://doi.org/10.1021/acs.jcim.2c01504
Shidi, Tang, Chen Ruiqi, Lin Mengru, Lin Qingde,
Zhu Yanxiang, Wu Jiansheng, Hu Haifeng, and Ling Ming.
Accelerating AutoDock Vina with GPUs.
Molecules 27.9 (2022): 3041.
DOI https://doi.org/10.3390/molecules27093041
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.
GPU Platform: NVIDIA CUDA
GPU Device: Quadro RTX 6000
GPU Device: Quadro RTX 6000
Using random seed: -1739828047
Err-9999:Unknown OpenCL error
I try to change the ./Makefile content :OPENCL VERSION=-DOPENCL 3 0 ===> OPENCL VERSION=-DOPENCL 2 0
But it's not useful
Otherwise
here is 'clinfo' output
NOTE: your OpenCL library only supports OpenCL 2.2,
but some installed platforms support OpenCL 3.0.
Programs using 3.0 features may crash
or behave unexpectedly
The text was updated successfully, but these errors were encountered: