AMBER Archive (2004)

Subject: Re: AMBER: amber8 tests

From: David A. Case (case_at_scripps.edu)
Date: Wed Sep 22 2004 - 13:28:34 CDT

On Wed, Sep 22, 2004, mathew k varghese wrote:

> I have installed amber8 with fortran90 compiler
> ifort.I have conducted tests for the various
> programs.Certian tests were failed. The failed tests
> are
> sander.REM,

Be sure to download the correct sander.REM test suite from the Amber web
site, if you have not done so.

> psander

The "psander" code in Amber 8 does not work, and this is never even compiled
as a part of the distribution. Don't try to compile and use this.

> lmod

This won't work unless you obtain the lmod code separately from Istvan
Kolossvary. How are you running the test suite?

> pmemd

This is worth worrying about, if you wish to use pmemd.

> and mmtsb.

Have you downloaded and installed the mmtsb toolkit? Again, this is not
one of the standard tests.

I suggest that you just do "make test" in the $AMBERHOME/test directory,
and look carefully at the _reasons_ why the test cases failed. Many of the
non-default test cases that are in princple accessible are not intended for
the standard install.

...good luck....dac

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