Developing Science Gateways at Various Levels of Granularity Using WS-PGRADE/gUSE - Science Gateways for Distributed Computing Infrastructures - page 110

Fig. 8.1 Graph creation and concrete workflow con guration are done by end-user at granularity
level 1

side of the guration of this job that is mapped to a BOINC-

based desktop grid resource. Using the desktop grid the parameter sweep can be
effectively parallelized. Finally, the third collector job analyses the results of all
docking simulations and selects the required number of best docking results.
While signi

gure shows the con

cant effort and expertise is required from the end-users, the tasks
and responsibilities of gateway operators and application developers are kept at the
minimum in this scenario. If in the target community are experienced workflow and
application developers, then a suitable gateway can be set up very quickly by
installing the framework as it comes

“ ”

out of the box .

8.5 Granularity Level 2: Predeveloped Workflows

Granularity level 2 is an extension of the first scenario when not only is the gateway

installed for the end-users, but the necessary workflows are also predeveloped and
exported to a suitable workflow repository. WS-PGRADE offers access to both an
internal workflow repository and the external SHIWA repository (see Chap. 9 for
details).
In this scenario, end-users need to import the predeveloped workflows to their
accounts, parameterize and execute them. Users also have the possibility to cus-
tomize, modify, or even extend the workflows if they wish. End-users do not have
to design or implement the workflows as these are precreated by workflow
development experts. However, users still need to be familiar with some concepts
of the gateway framework, e.g., they do need to understand the workflow concept
and should have some awareness of distributed computing infrastructures. We
recommend that at least an introductory gateway course is recommended to be
undertaken. Figure 8.2 illustrates that the user only needs to con

gure the workflow

(typically providing input files only) at this granularity level, but no workflow