Error Compiling Autodock

[jssantiagojr]

Good day!

Currently having problems compiling, I'm encountering the following problems compiling the program.

arthur@mmrl-03:~/Downloads/AutoDock-GPU-develop$ make DEVICE=CUDA NUMWI=256 TARGETS="80"
rm -f ./host/inc/performdocking.h ./host/src/performdocking.cpp
Building adgpu_analysis ...
g++
./host/src/calcenergy.cpp ./host/src/getparameters.cpp ./host/src/main.cpp ./host/src/miscellaneous.cpp ./host/src/processgrid.cpp ./host/src/processligand.cpp ./host/src/processresult.cpp ./host/src/setup.cpp
-std=c++11 -I./common -I./host/inc -DVERSION="v1.5-release"
-o./bin/adgpu_analysis
-O3 -DTOOLMODE
DEVICE is set to GPU

CPU_INCLUDE_PATH is undefined
CPU_LIBRARY_PATH is undefined

GPU_INCLUDE_PATH is set to /usr/local/cuda/include
GPU_LIBRARY_PATH is set to /usr/local/cuda/lib64

nvcc -DN256WI -use_fast_math --ptxas-options="-v" -gencode arch=compute_80,code=sm_80 -std=c++11 -I./common -I./host/inc -I/usr/local/cuda/include -I./cuda -c ./cuda/kernels.cu
nvcc fatal : Unsupported gpu architecture 'compute_80'
Makefile.Cuda:187: recipe for target 'kernels' failed
make: *** [kernels] Error 1

[L30nardoSV]

Hi @jssantiagojr,

nvcc fatal : Unsupported gpu architecture 'compute_80'

Which GPU are you targeting?

[jssantiagojr]

Hallo! I'm a 2080ti and an RTX 5000. so far I already confirmed that TARGETS ="80" works with a 3080ti. Thank you!

[atillack]

@jssantiagojr Compute architecture 80 (Ampere) requires Cuda version >= 11 - looks like maybe an older Cuda version snuck in to create the above error.