Hello,
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)
cd $AMBERHOME
./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.
The information contained in this transmission contains privileged and confidential information. It is intended only for the use of the person named above. If you are not the intended recipient, you are hereby notified that any review, dissemination, distribution or duplication of this communication is strictly prohibited. If you are not the intended recipient, please contact the sender by reply email and destroy all copies of the original message.
CAUTION: Intended recipients should NOT use email communication for emergent or urgent health care matters.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 03 2018 - 09:00:02 PDT
