On Thu, Dec 29, 2016, Elka Firmanda wrote:
> I got an error when i tried to install (sudo make install) amber with
> cuda and mpi (./configure -cuda -mpi gnu).
First, don't use "sudo" to install Amber (unless you *really* know what you
are doing.) If you think you need sudo, spend some time to figure out how to
avoid it.
Second, compile and test pmemd.cuda before trying out pmemd.cuda.MPI. Many
(most?) users never have any need for the latter code.
Third, be sure your CUDA_HOME variable points to the correct location,
generally something like /usr/local/cuda-8.0. There should be a cuda.h
file in $CUDA_HOME/include.
...dac
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Received on Wed Dec 28 2016 - 18:30:03 PST
