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GridChem-- User Support
Kent Milfeldmilfeld@----------
Supported by the NSF NMI Program under Award #04-38312 http://www.GridChem.org
Oct. 10, 2005
Computational Chemistry Resource Providers
TACCCCT
NCSA
CCS OSC
The Big Picture
Computation Chemistry Grid (CCG)“GridChem”
• A collection of “grid-enabled” resources to routinely run chemical physics applications
• Integrates a desktop environment into an infrastructure for a specific community of users– comp. chemists with large/small scale needs– experimental chemists who occasionally need
simulation capabilities to verify experimental results
• Establishes a distributed infrastructure for open scientific research– a virtual organization
3-tier Architecture
GridChem Client GC Middleware Server HPC Resources
Authentication
KerberosMyProxySSHmodules
Resource specs. into Local Batch SpecsBatch Script Queue Submission
Application Execution +Output & File Transfers
inputs, resource specs. & temp. cert. transfer
Kerb. & MyProxyServers
Input PreparationMolecular Editor
Application OptionsSite Info (stat./dyn.)
J2EE
MySQL
Site Monitors
Site PreferenceJob Submission Resource
Management
File Management
RemoteStorage
MolecularEditor +Visualization
User See Two-Tier Architecture
Infrastructure (now)• Server, GridChem Client*
– MyProxy (X-500 Certs), Kerberos (Security)– CGI Scripts GSI
( for Data Movement & Job Launch)
• Job Monitoring– Perl filters, MySQL
• Support– PCS, Portable Consulting Service
• EOT– OSU
*
ConsultingReport Problem
User Interface
Further Interaction
Consultant Interface
Email Notification
Email Notification
Notifications
web
PersonalizedMonitorPage
Database
Problem Form
Front-line triageConsultantMonitorPage
web
Ticket Owner& CCs
TicketTransfer &ResponsePage
User Login
user1
*******
Greetings,
Someone has recently requested a password reset for this email address at PCS. If this is not you, please contact your system administrator immediately at [email protected] to resolve this issue. Include [URGENT GridChem PCS Password Problem] in the subject line.
Your user name is:
user2
Your newly generated password is:
8W)-2f(E
For security reasons, we recommend logging into PCS as soon as possible and changing this new password to one of your choosing.If you have any questions, please use PCS at www.gridchem.org/consult.
User Submission
Select CategoryGridChem: OperationGridChem: Job SubmissionApps: RunningCommunity: Package InputCommunity: Method SelectionSite: CCS – UKySite: CCT – LSUSite: NCSA – UIUCSite: OSC – OSSite: TACC -- UTx
Select CategorySelect CategoryLowMediumHighUrgent
Select Priority
User View
User’s View
Consultant ViewConsultant’s View
Monitoring-- extras
Monitoring
User
Storage
HTTPHTML,PHP,…
Service
Login
DB
Batchcron
Filter
Job-Status-Monitor = JSM
