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DeltaGroupNJUPT / Vina-GPU-2.1

Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
Apache License 2.0
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Problem during run example after successfully making source in Linux #9

Closed ghost closed 10 months ago

ghost commented 10 months ago

While installing Vina-GPU I have found following error (segmentation fault). make source was completed successfully. I did following changes in makefile

WORK_DIR=......./Vina-GPU-2.1-main/AutoDock-Vina-GPU-2.1 BOOST_LIB_PATH=......./boost_1_82_0 OPENCL_LIB_PATH=/usr/local/cuda-12.2 OPENCL_VERSION=-DOPENCL_3_0 GPU_PLATFORM=-DNVIDIA_PLATFORM

While running example I got following error:

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: NVIDIA GeForce RTX 3080 Ti Using random seed: -117560640

Build kernel 1 from source OpenCL version: 3.0

Build kernel 2 from source OpenCL version: 3.0 Segmentation fault (core dumped)

Your help is highly appreciated.

ghost commented 10 months ago

The issue resolved by following this thread: https://github.com/DeltaGroupNJUPT/Vina-GPU-2.1/issues/7#issuecomment-1820152794

ghost commented 10 months ago

Thanks