Bug Report and Solution: Kernel Compilation Error on Windows 11 with NVIDIA GPU (Applies to Vina-GPU 2.0 and 2.1)

[liszt-c]

Platform Information

OS: Windows 11

GPU: NVIDIA Tesla P40

OpenCL Version: 3.01

Steps to Reproduce

Run the command:

./Vina-GPU+_K.exe --config=./input_file_example/2bm2_config.txt

Expected Behavior

The program should successfully generate Kernel1_Opt.bin and Kernel2_Opt.bin for the target platform.

Actual Behavior

The compilation fails with the following error:

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: Tesla P40
Using random seed: 2022

Build kernel 1 from source
OpenCL version: 3.01 error generated.

Error: Failed to build program executable!
log:<kernel>:63:10: error: incompatible pointer types assigning to 'const __global int *' from 'int const __global (*)[1024]'
        address = &(ar->relation[temp]);
                ^ ~~~~~~~~~~~~~~~~~~~~~

The error occurs due to incompatible pointer types in the OpenCL kernel code.

Solution

File: /Vina-GPU+/OpenCL/src/kernels/kernel1.cl

Line 58​ (originally line 63 in the error log):

Before (incorrect):

address = &(ar->relation[temp]);  // Incorrect

After (correct):

address = ar->relation[temp];     // Correct

Useful Tip

The generated Kernel1_Opt.bin and Kernel2_Opt.bin files are compatible between Vina-GPU 2.0 and Vina-GPU 2.1. You can compile the kernels once and reuse the .binfiles across both versions