[GE users] Scienomics MAPS integration

j_polasek j-polasek at tamu.edu
Tue May 25 19:52:24 BST 2010


HI Reuti,

My understanding is that MAPS is a platform for molecular and process modeling that integrates with simulation codes like LAMMPS, NAMD, etc. 

I have heard from Scienomics tech support.  They tell me...

 			"It is necessary to have a script which is called from MAPS and submits the 
			jobs to the scheduler. We have such a script already from another customer, 
			but since job schedulers are always
			specific to one site, we would have to customize it for your site."


Based on this, we will move ahead with the evaluation of this package.

Thanks

Jeff
On May 25, 2010, at 11:51 AM, reuti wrote:

> Hi,
> 
> Am 25.05.2010 um 17:45 schrieb j_polasek:
> 
>> Howdy,
>> 
>> Is anyone using the Scienomics MAPS GUI package with SGE?  
>> 
>> http://www.scienomics.com/Products/maps/index.php
>> 
>> We have some users who are interested in using this package mainly with Abinit, NAMD, LAMMPS and several other packages..
> 
> are these packages part of MAPS? Is MAPS just an interface to all of them? 
> 
> -- Reuti
> 
> 
>> Thanks
>> 
>> Jeff
>> 
>> 
>> Jeff Polasek
>> Computer Systems Manager
>> Artie McFerrin Chemical Engineering Department
>> Texas A&M University
>> 979-845=3398
>> j-polasek at tamu.edu
>> 
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