Re: [AMBER] AmberTools 1.4 parallel programs

From: David Case <>
Date: Tue, 8 Feb 2011 12:39:57 -0500

On Feb 8, 2011, at 11:23 AM, "Martin M. Ossowski" <> wrote:
> I am even more confused now since if the program is linked statically
> it should not matter what its name or the libraries' it has been
> linked against is.

You may be forgetting that nab is a compiler. The default libraries that are searched are different in the serial and parallel version.

The next release of AmberTools will make it easier to differentiate serial and parallel compilers (as in the distinction between "cc" and "mpicc".)

> So I am wondering whether I can:
> 1) Configure the parallel version (./configure -mpi), make, and install
> 2) In the bin directory rename *binaries* nab and nab2c to nab.MPI and
> nab2c.MPI
> 3) Configure the serial version (./configure), make, and install -
> this will ad serial nab and nab2c to the bin directory resulting in
> having both serial and parallel versions of nab and nab2c.

This probably will not work. Any user with sufficient experience and knowledge to need the parallel version should probably copy the code into his or her own area, and configure that version to meet their needs.



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Received on Tue Feb 08 2011 - 10:00:14 PST
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