[Dock-fans] parallel dock

Scott Brozell sbrozell at rci.rutgers.edu
Tue Jun 30 11:38:38 PDT 2009


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On Tue, Jun 16, 2009 at 04:30:14PM +0200, Yogesh Aher wrote:
> I was trying to install DOCK 6.2 in parallel, but getting the following
> error again and again:
> *
> The DOCK configuration file has been created.
>  REQUIREMENTS - define these environment variables:
>  MPICH_HOME is the root directory of the MPICH2 MPI implementation*

That is not an error; it is informational.

> In which file of /dock6/install, I need to add MPICH_HOME=/usr, as I added
> this line in "gnu.parallel" file but still get the above error.

eg, at the command line:
% setenv MPICH_HOME /usr


> I am using bash shell and in .bashrc gave the command - "export
> PATH=$PATH:/usr/bin".
> "which mpicxx" command gave me the path as /usr/bin/mpicxx

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