Err-6:CL_OUT_OF_HOST_MEMORY

[Ren9arzzz]

1.Change -DSMALL_BOX into -DLARGE_BOX in Makefile
2.Type make source and $(ONE_OF_VINA_GPU_2_1_METHODS) --config ./input_file_example/2bm2_config.txt

execute：
./AutoDock-Vina-GPU-2-1 --config ./input_file_example/2bm2_config.txt

Errors may occur：

---

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 3090
Using random seed: 1260569307

Build kernel 1 from source
OpenCL version: 3.0

Build kernel 2 from source
OpenCL version: 3.0

Err-6:CL_OUT_OF_HOST_MEMORY

---

Only - DSMALL_BOX can operate normally

AutoDock-Vina-GPU-2.1$ free -h
总计 已用 空闲 共享 缓冲/缓存 可用
内存： 251Gi 4.8Gi 223Gi 5.0Mi 23Gi 244Gi
交换： 2.0Gi 0B 2.0Gi

AutoDock-Vina-GPU-2.1$ ulimit -s
unlimited

[Ren9arzzz]

I found that this error may be caused by insufficient running memory

When my RAM is only 251Gi :
Err-6:CL_OUT_OF_HOST_MEMORY

When my RAM is 503Gi :
make success