[Openmmworkshop-day2] Software for workshop -- please install soon!

Wed Feb 4 23:41:45 PST 2009

Dear Day 2 Workshop participants,

In order to hit the ground running, please download and install the
following files before coming to the workshop.  

Let us know of your success or problems as soon as possible, so we can
help you.  This is especially important with the GPU drivers since
successful installation appears to be very machine-dependent. 

Links for all files are available via http://simtk.org/home/zephyr with
detailed instructions below.

FILES REQUIRED:

1)      Tcl/Tk

2)      VMD

3)      OpenMM Zephyr [Windows only]

4)      If you have a supported NVIDIA or ATI GPU (on certain machines -
see details below), download and install the latest drivers.  These will
replace your current drivers.  You can run Zephyr without updating your
drivers.  However, you will not get acceleration on your GPUs without
them.

Once everything is installed, try running Zephyr.  Go to the folder where
Zephyr was installed (default:  C:\Zephyr0.4\) and click on OpenMMZephyr
to start it.

We very much look forward to seeing next week.

Best,

Joy

OpenMM Workshop Detailed Download (and Install) Instructions 

Reminder:  Zephyr currently only runs on Windows.

1.       Go to http://simtk.org/home/zephyr

2.       Click on Downloads in the left-hand column

3.       Click on the Tcl/Tk link and follow the instructions there to
download version 8.5.

4.       Click on the VMD link.  In the new webpage that appears, click on
Download VMD in the left-hand column.  You will be taken to another
webpage, listing all the different versions of VMD.  Select the Windows
OpenGL distribution of the most recent version.

You will be taken to a registration/login window.  Provide a username and
password, and accept the license agreement that appears.  

Follow the directions that appear on the screen to complete the
installation. 

5.        Click on the InstallZephyr-0.4.1-win32.exe and follow the
instructions on the screen to install.  NOTE:  If you install the program
to a location other than the default, pick a directory without any space
characters.

6.        GPU Drivers, only required if you have a supported NVIDIA or ATI
GPU on certain machines.  Check the discussion forum (Advanced    ->
Public Forums) for troubleshooting information.

SUPPORTED NVIDIA GPUs:
http://www.nvidia.com/object/cuda_learn_products.html  

SUPPORTED ATI GPUs:
http://ati.amd.com/technology/streamcomputing/requirements.html

                NOTE:  ATI GPU driver currently supported on Windows XP,
Windows Vista, Red Hat Enterprise Linux for laptops/desktops

a.       DRIVER FOR NVIDIA GPU:   download and install CUDA version 2.0 or
later (see link under OpenMM header).  Download the driver and toolkit.  

Testing installation:  To verify that you've installed things correctly,
you should also download the SDK code samples and run a sample program
(e.g., deviceQuery or nbody, default location is C:\Documents and
Settings\All Users\Application Data\NVIDIA Corporation\NVIDIA CUDA
SDK\bin\win32\Release on Windows XP, 32-bit).  Executables are only
provided on Windows;  you will need to compile source code to run the
examples if you are running on Linux.

b.      DRIVER FOR ATI GPU:  download and install Catalyst Software Suite
9.1 (see link under OpenMM header).  Catalyst Software Suite 8.12 will
also work.  

Checking version:  On Windows, you can check what version you have by
going to Start -> All Programs -> Catalyst Control Center -> Catalyst
Control Center.  In the Catalyst Control Center, click Information Center
-> Graphics Software -> Catalyst Version.  If you don't see a listing for
Catalyst Version, you don't have the driver at all and need to download
it.

Windows software needed for installing:  Update Windows if needed (SP3 is
needed for XP and SP1 is needed for Vista).  You will also need Microsoft
.NET Framework 2.0
(http://ati.supportcenteronline.com/ics/support/default.asp?deptID=894
<http://ati.supportcenteronline.com/ics/support/default.asp?deptID=894&tas
k=knowledge&questionID=20870> &task=knowledge&questionID=20870).  Check to
see if you have .NET Framework 2.0 by going to Start -> Control Panel ->
Add or Remove Programs.  Look to see if Microsoft .NET Framework 2.0 is
listed.  If not, you need to download and install it.

Testing installation:  To verify that you've installed things correctly,
you should download SDK v1.3-beta
(http://ati.amd.com/technology/streamcomputing/sdkdwnld.html).  Look in
the bin folder (default location on Windows XP is C:\Program Files\AMD\AMD
Cal 1.3.0_beta).  Run 'basic.exe' which will perform a simple test that
runs code on the GPU. 

________________________________________________

Joy P. Ku

Director of Dissemination

Simbios, Stanford University

(W) 650.736.8434 

(F) 650.723.7461

Email:  joyku at stanford.edu

Website:  http://simbios.stanford.edu

______________________________________________________

Joy P. Ku

Director of Dissemination

Simbios, Stanford University

(W) 650.736.8434 

(F) 650.723.7461

Email:  joyku at stanford.edu

Website:  http://simbios.stanford.edu

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