Dimuthu: This is a standard format for an application named Gaussian. This file is parsed for various job requirements at the middleware and resource stages for proper job submission. There are several applications each of which have their own standard ways of setting the job parameters. Also these files are used by the applications for setting variables internally when they execute.
Sudhakar. On Mar 27, 2015, at 4:05 AM, Dimuthu Upeksha (JIRA) <j...@apache.org> wrote: > > [ > https://issues.apache.org/jira/browse/AIRAVATA-1635?page=com.atlassian.jira.plugin.system.issuetabpanels:comment-tabpanel&focusedCommentId=14383553#comment-14383553 > ] > > Dimuthu Upeksha commented on AIRAVATA-1635: > ------------------------------------------- > > I tried GridChem client by putting some jobs on the servers and getting > outputs. Input files that we push has a format like this. > > %chk=water.chk > %nprocshared=1 > %mem=500MB > #P RHF/6-31g* opt pop=reg gfinput gfprint iop(6/7=3) SCF=direct > > Gaussian Test Job 00 > Water with archiving > > 0 1 > O > H 1 0.96 > H 1 0.96 2 109.471221 > > Is this format some standard way of passing jobs or specific format for > GridChem? > Does client directly pass this file to middleware or parse this and pass only > necessary data? > >> [GSoC] Integrate Airavata Java Client SDK with GridChem Client >> --------------------------------------------------------------- >> >> Key: AIRAVATA-1635 >> URL: https://issues.apache.org/jira/browse/AIRAVATA-1635 >> Project: Airavata >> Issue Type: Epic >> Reporter: Suresh Marru >> Labels: gsoc, gsoc2015, mentor >> >> GridChem is a Science Gateway enables users to run computational experiments >> on multiple supercomputing resources. Currently GridChem, a java swing based >> webstart client [1] uses a Axis2 based Middleware Service [2] which brokers >> users actions into computational jobs. >> This project needs to understand the Client [1] and port it to use Apache >> Airavata java client SDK. The project has following components: >> * Integrate GridChem client with Airavata User Store (implemented by WSO2 >> Identity Server) >> * Integrate with Airavata API for application executions. >> * Integrate with Atlassian JIRA + Confluence for user error reporting and >> status notifications. >> [1] - https://github.com/SciGaP/GridChem-Client >> [2] - https://github.com/SciGaP/GridChem-Middleware-Service > > > > -- > This message was sent by Atlassian JIRA > (v6.3.4#6332) >
