Wednesday Apr 02, 2008

New Applications on Network.com!!!

I enabled 7 applications on network.com sometime back. They are not open source softwares, but freewares.

Here is the list of applications and what they do in brief

> ARMS: Spatial Alignment with the RMS (Root Mean Square) method. (fixed pairwise correspondence)
> ASV: Analytical calculation of van der Waals surfaces and volumes.
> CSR: The Combined SDM/RMS Algorithm for spatial alignment of two molecules. (pairwise correspondence computed)
> DOG: Docking Geometrically two molecules. (fixed pairwise correspondence)
> POP: Optimal Partition (classification). The number of classes is computed.
> QCM: Quantitative Chirality Measure of a conformer. (graph automorphisms enumeration included)
> RADI, RADI2: Computation of the Radius and Diameter of a spatial set. (computes also various other geometrical parameters)

The freewares are now shared in the Job Catalog of network.com!

Tuesday Apr 01, 2008

Freemat 3.5 now on network.com!

Freemat 3.5 is now available on network.com - Sun's Grid Compute Utility.

"FreeMat is a free environment for rapid engineering and scientific prototyping and data processing. It is similar to commercial systems such as MATLAB from Mathworks, and IDL from Research Systems, but is Open Source." - freemat.sourceforge.net.

Network.com is Sun's Compute Utility tool where you can 'rent out' Sun's powerful hardware to run / test your applications.
Visit network.com for more info.

How to run Freemat 3.5 on Sun Grid ?

1) Go to the Job Catalog section in network.com and 'Checkout' the Freemat 3.5 Job. It should now appear in your 'jobs' section.
2) Create your 'Freemat Data Resource' - a zip file containing your input files and file called freemat.in.
3) The freemat.in should contain the freemat commands to be run. Note that you need to specify only the arguments to the freemat command in the freemat.in file. "FreeMat -nogui -noX -e" is taken by default.
4) Upload your file and point your Freemat Data Resource to the zip (by editing your Freemat 3.5 job)
5) Save and Run the Job!

A sample freemat.in file would like

HermitianOperatorExample1
HermitianOperatorExample2

This will run two Freemat commands, viz
FreeMat -nogui -noX -e HermitianOperatorExample1
FreeMat -nogui -noX -e HermitianOperatorExample2

You can also compile Freemat on solaris and run it via SGE (Sun Grid Engine)

Download the Sample Resource Zip
Here

Go to the Freemat Home Page

About

gkrish

Search

Categories
Archives
« April 2014
SunMonTueWedThuFriSat
  
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
   
       
Today