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<p>Alright... after several weeks and numerous interations of
software and OS rebuilds, I think the computational suite is ready
for research use. Please refer to the following <a
moz-do-not-send="true"
href="https://drive.google.com/open?id=14mWF96sz-vWQB73hm3Dw2vo4BduzyC2p7-BCHwRWhsY">map</a>
for the locations of systems described below.<br>
</p>
<p>Dock will always be in Linux and is still running CentOS 6. For
almost all of you nothing changed on dock; all I really changed
were network configurations to match our new research subnets.</p>
<p>All of the other systems are dual-bootable into either Windows 10
or CentOS 7. Normal operating procedure will be for systems 1-5
to be in CentOS 7 and systems 6 and 7 to be in Window's 10. If
this split is insufficient, we can boot into whatever OS we need
as warranted.<br>
</p>
<p><b>Windows 10 Users</b>: IT tells me that they have done their
best to mirror the images between these computers and those in
room 218. Please let me know if you have any problems. You
should also be able to log into these with your Mercer
credentials. I need to verify that they also re-created the
Chemistry user account. Be warned that these systems are running
Deep Freeze and you need to save files on flash drives. I have
not tried saving my files to the chemistry fileshare, but I assume
that this is also possible. If you need something done on the
Windows side of the house, let me know and I'll pass it along to
IT.<br>
</p>
<p><b>Linux Users:</b> The linux systems are NFS mounting the /home2
and /usr2 directories on henry and doing authentication on henry
as well. All this means is that you should be able to log into
the other unix systems using the same username and password I
created for you on dock. All of your files that you had on dock
should be accessible in home directory. You may experience some
difficulties going between dock and the other systems because of
differences in the layout of the files that the window manager
uses. Just let me know if you have problems and I'll see what I
can do to help.</p>
<p>I also configured each of the new systems to work with the Torque
job scheduler located on henry and verified that jobs can be
scheduled and run. If you need to run things for more than a few
hours you should probably be using Torque. Again, see me for
instructions.<br>
</p>
<p>I installed a lot of packages on the new systems, but I am sure
that there are things I missed, if you need something, and can't
find it, please let me know.</p>
<p>One last thing -- technically DOCK still has the fastest
processor in the room ( 3.5 GHz Xeon with 8 threads ) and has a
very good TITAN GTX graphics card (6GB onboard memory) and 32 GB
of system memory. The other systems have 2.2 GHz Xeon processors,
but can run up to 20 threads concurrently. Systems 1-6 also have
NVidia Quadro GP100 GPU's with 16GB onboard memory (these ain't
cheap). All this to say, if you need a SINGLE THREADED code to
run fast, then use dock. If your code can utilize threaded
parallelism or push work off to the GPU, then the other systems
will be an outstanding platform for research.</p>
<p>If you need help building code come see me. I'll show you where
the toolbox is...<br>
</p>
<p> <br>
</p>
<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
</pre>
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