Re: [AMBER] Configure CUDA issues

From: Kadir Ozcan <>
Date: Thu, 3 May 2018 15:55:34 +0000


I recently upgraded to Amber18. I installed Amber18 as well as AmberTools18 successfully. I want to configure CUDA so I can GPU accelerate pmemd. I have a MacOS 10.13.4 (17e199). I am using an external GPU which is GeForce GTX 980 Ti and I have installed CUDA Toolkit 9.0. Am I using the correct CUDA? I ran the following code:

export CUDA_HOME=/usr/local/cuda (or other appropriate location if not already set in bashrc or cshrc)
./configure -cuda clang
make install

My first error was that my compiler version was not supported (90100) so I switched back to Xcode 8.2 which resolved that issue. My next error was "nvcc fatal : Unsupported gpu architecture ‘sm_70’". I removed the portion "-gencode arch=compute_70,code=sm_70” from “config.h” in the Amber18 directory as suggested by David A. Case.

I then try “make install” again and receive the following error:

nvcc fatal : Unsupported gpu architecture 'sm_70'
make[5]: *** [core_kernels.o] Error 1
make[4]: *** [cuda_kernels/libcpptraj_cuda.a] Error 2
make[3]: *** [install] Error 2
make[2]: *** [build_cpptraj] Error 2
make[1]: *** [cuda_serial] Error 2
make: *** [install] Error 2

How can I fix this error? Thank you in advance.

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Received on Thu May 03 2018 - 09:00:02 PDT
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