<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2//EN">
<HTML>
<HEAD>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=iso-8859-1">
<META NAME="Generator" CONTENT="MS Exchange Server version 6.5.7226.0">
<TITLE>Autopilot Feature Suite</TITLE>
</HEAD>
<BODY>
<!-- Converted from text/plain format -->
<P><FONT SIZE=2>Hello,<BR>
<BR>
I would like to introduce into the Espresso package an update that may useful to the ab-initio community.<BR>
<BR>
The Autopilot Feature Suite is used for automating long segmented runs at Targacept, Inc in Winston-Salem, NC, USA, for drug discovery. Many of the features may well suit other research interest areas.<BR>
<BR>
The code is fully developed and tested under Intel 8.1 for single Linux-32, or PGI(with MPI) for Multiple Linux-64 processors.<BR>
<BR>
The Autopilot Feature Suite is a user level enhancement focused on<BR>
directing Car-Parrinello simulations based on CP.X packaged in ESPRESSO.<BR>
<BR>
The following features are incorporated:<BR>
<BR>
I. Auto Restart Mode<BR>
II. Auto Pilot Course Configuration (Dynamic Rules)<BR>
III. Auto Pilot Course Correction (Steering)<BR>
<BR>
Auto Pilot Course Correction (or Steering), provides a runtime method of<BR>
changing Autopilot variables on-the-fly, after the simulation is underway.<BR>
<BR>
Course Correction contains the following sub features: New Course (power steering),<BR>
Manual Steering, and Pause.<BR>
<BR>
Read more about this feature suite at this temporary link:<BR>
<BR>
<A HREF="http://66.56.97.9/macchiato/Doc/autopilot_doc.html">http://66.56.97.9/macchiato/Doc/autopilot_doc.html</A><BR>
<BR>
Or contact me for more information.<BR>
<BR>
<BR>
NOTE: This is a first time to add code to the project and I would like<BR>
advisement on the proper procedure and current usefulness of the proposed<BR>
interjection. Please contact me for discussion.<BR>
<BR>
<BR>
Lee Atkinson, Sr. Sw. Eng., CTR<BR>
Targacept, Inc<BR>
latkinson@targacept.com<BR>
USA-PH (336-480-2232)<BR>
</FONT>
</P>
</BODY>
</HTML>