The use of the SCMS-EMI as scientific gateway in BCC of NGI_UA Authors: Andrii Golovynskyi, Andrii Malenko, Valentyna Cherepynets V. Glushkov Institute of Cybernetics NAS of Ukraine, Kiev Leonid Belous B. Verkin Institute for Low Temperature Physics and Engineering NAS of Ukraine, Kharkov Present: Sergiy Svistunov Bogolyubov Institute for Theoretical Physics NAS of Ukraine, Kiev

U KRAINIAN N ATIONAL G RID Currently Grid infrastructure represented by resources of more than 30 institutes and universities (more than 2900 CPU and 250 TB of disk memory) which are operating under the ARC middleware. In average site has only CPU cores!! Grid infrastructure in Ukraine has been built by applying two programs: "Implementation of grid technologies and creation of clusters in the National Academy of Sciences of Ukraine" and "Information and Communication Technologies in Education and Science “.

B ASIC C OORDINATION C ENTER In order to ensure the integration of Grid infrastructure of Ukraine and EGI.eu infrastructure, it was established Basic Coordination Center (BCC) which performs functions of Resource Infrastructure Provider at technical and operational level. BCC is a nonstructural subdivision of the Bogolyubov Institute for Theoretical Physics, located in Kiev, Ukraine, which represent itself as main organization for management of Ukrainian National Grid Project. Currently in NGI_UA includes 12 grid sites from UNG BCC provides management and coordination of projects based on supporting of operational structure of NGI_UA (resource centers and core services of NGI_UA).

SCIENCE GATEWAY ( PROBLEMS AND POSSIBLE SOLUTION ) The problem of understandable and accessible user interface is relevant and important for all types of software. This is especially significant for high-performance computing, where traditional interfaces for user access are very specific and require additional technical knowledge. Current development of grid and cloud computing doesn`t reduce the problem of creating a user-friendly interface. Possible solution of this problem is development of web-based science gateway. It is solution that integrates scientific applications and data collections into a web portal so scientists can easily access the resources of grid-infrastructure to submit their tasks and manage their data.

K EY FEATURES OF THE SCMS-EMI Super Computer Management System (SCMS-EMI) provides access to high performance computing resources via the web interface. Platform independent interface (Windows/Unix/Mac) working in all major browsers: IE, Firefox, Opera, Chrome, and Safari. Extensive use of Web 2.0 and Ajax technologies.. Transparent operations in grid, similar to operations on a local cluster, that allows user quickly move from cluster to grid with unified UI. Intuitive multilingual graphical user interface designed for both beginners and advanced users. Support is provided not only for Ukrainian, Russian, English languages, but for other as well. SCMS-EMI requires studying minimum of documentation.

K EY FEATURES OF THE SCMS-EMI Provided support ARC, gLite and UNICORE middleware. for basic usage, there is no difference between work on local cluster and in grid; advanced users can to work in command-line interface. Main features of SCMS-EMI for user: choice of available resources (defined by membership in virtual organizations or available clusters, where user is authenticated), task submission, tracking task execution process and viewing task results; help to organize and simplify workflow for scientific and applied parallel software packages such as Abinit, Amber, Gamess, Gaussian, Gromacs, Namd, NWChem, etc).

SCMS-EMI: S TRUCTURE

SCMS-EMI: Authorization 1 Stage -> user is able to connect to SCMS-EMI system just using pair of login/password 2 Stage -> for using grid possibilities, user should enter password of X.509 certificate, stored ~/.globus (user’s home directory)

SCMS-EMI: Authorization

SCMS-EMI: Interface – Main window The interface was designed to perform typical user operations: - operations with files; - task submission; - tracking the job; - preview results of submitted task; - communication between users and support team; - ability to use grid opportunities and typical operations there.

File Management tool provides typical file operations: creation of files and folders; cut/copy/paste; uploading files from local computer to user folder on cluster; downloading files from cluster and grid; inline file preview and editing with syntax highlighting for popular programming languages; file tracking, changing attributes and etc. SCMS-EMI: Interface – Part 1 - File Manager

SCMS-EMI: Interface - Part 2 Task Launch Form Task submission to resource manager queues is performed in Launch Form. It allows user to set all necessary parameters of task. Task submission parameters can be saved to user profiles for further use, that could simplify user operations for launching similar tasks.

SCMS-EMI: Interface - Task Launch Form Grid task submission procedure is similar to job submission on a local cluster. User should fill the Launch Form or provide a valid task description file. Result of the task submition will be displayed in «Submission Log» window.

SCMS-EMI: Interface - Preview of task`s files After successful launch of grid task the corresponding remote folder will be displayed in File Manager. Such folders are indicated with chain icon. SCMS-EMI constantly monitors statuses of grid tasks and automatically copies completed results to corresponding folder on a local cluster. Task runtime files can be previewed during task execution and copied to local cluster for further use.

SCMS-EMI: Interface - Tasks List Menu «Tasks» -> «Launch history». User can preview list of all tasks on local cluster and own grid tasks. In any case user has possibility to cancel task.

SCMS-EMI: Interface - Tasks List After successfully finishing of task, data from the temporary working directory is moved to a permanent folder and after this temporary directory is deleted.

SCMS-EMI: Interface - Tracking Task Results User can preview obtained results.

SCMS-EMI: Interface - Resources User can preview list of queues on local cluster with their time limits and number of available cores. Grid resources are grouped by cluster hostname. Additional information about selected partition or queue is available in the panel «Details».

SCMS-EMI: Interface - Statistics SCMS collects information about completed tasks. Resource usage statistics can be grouped by users, organizations, VO and etc.. Statistics can be exported to CSV or Excel format.

SCMS-EMI: Interface - Monitoring The monitoring subsystem has modules for checking hardware status and software components of cluster: - resource manager (SLURM, Torque, etc.); - error counters of Ethernet and Infiniband switches; -hard disks and RAIDs of servers; -nodes status and temperature; - monitoring of GPU units (temperature, fan speeds, etc.); -health status of UPS batteries; -system log; -GSM/CDMA modem status; -grid middleware operability.

Project web site - Demo account: login: demo password: cluster

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