On Thu, Dec 02, 2021, Suguna Sakkiah wrote:
>
>I am trying to install the Amber20 in centos 7 and getting below error. Anyone can help me to solve the issue
>
>[schrogpu1 build]$ sudo ./run_cmake1
We generally discourage using sudo to install Amber. Can you not build the
code in folders where you have write permissions?
> You requested MPI, but the MPI C library was not found. Please install one
> and try again, or set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES to point to
> your MPI.
Dou you have "mpicc" in your PATH? (Type "which mpicc") If so, what is the
output of "mpicc -show"?
If you've not done so yet, please read this page:
https://ambermd.org/InstCentOS.php
This points out the the MPI stacks avaiable by default in CentOS do not
work with Amber, and suggests fixes.
...hope this helps....dac
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Received on Thu Dec 02 2021 - 14:00:02 PST
