I upgraded my intel compiler and started everything from scratch.
Finally I installed Amber with both CUDA and Intel MPI....
Thx a lot
On 08/09/2016 01:55 PM, David A Case wrote:
> Can you compile any MPI programs using intelmpi on your machine?
>
> Also, you can look in the AmberTools/src directory to find the configure_mpich
> and configure_openmpi scripts. These will correctly configure a MPI
> installation, and put all the required executables and libraries in the proper
> places in your Amber directory tree. This is generally the most
> straightforward way to install MPI for Amber.
>
> ...dac
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Received on Tue Aug 09 2016 - 06:30:02 PDT
