Re: [AMBER] MPI install with openmpi

From: case <>
Date: Sat, 5 Oct 2013 09:28:20 -0400

On Sat, Oct 05, 2013, Makoto Chikira wrote:
> I am trying to install MPI version of Amber12 and AmberTool13.
> "./configure_openmpi gnu" and "./configure -mpi gnu" looked normally
> finished. However, "make install" resulted error messages, part of which are
> listed below.
> I am using CentOS6.4, openmpi-1.7.2, and gnu compiler.

1. Could you send your config.h file?
2. Try this: cd to $AMBERHOME/src and type "make parallel". It could be that
    there is something funny about compiling mdgx.MPI with this combination.
3. If (2) doesn't work, we will need to see more of the build output, in
    particular, the actual link command that led to the "undefined reference"


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Received on Sat Oct 05 2013 - 06:30:04 PDT
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