MoBrain CC coordination teleconference

Thursday 10 Dec 2015, 15:00 → 16:00 Europe/Amsterdam

This is a coordination teleconference for members of the MoBrain EGI-Engage Competence Centre. Further information: https://wiki.egi.eu/wiki/CC-MoBrain AGENDA: - Cryo-EM in the cloud: bringing clouds to the data - GPU portals for biomolecular simulations - Integrating the micro- (WeNMR/INSTRUCT) and macroscopic (NeuGRID4you) virtual research communities - User support and training WEBEX CONNECTION: Connection link: https://egi.webex.com/egi/j.php?MTID=m2d426deb37cd0f99c5e832ea19e642e3 Password: mobrain Join by phone: Call-in numbers: https://egi.webex.com/egi/globalcallin.php?serviceType=MC&ED=367412292&tollFree=0 Access code: 953 486 360 Meeting number: 953 486 360

CryoEM-status-report https://docs.google.com/presentation/d/1VfhMCdYccaDkmZeWYAaVy602pqZ5YE3ZH07Q2hgbAXc/edit?usp=sharing

MoBrain CC coordination teleconference
10/Dec/2015

Participants:
Ales Krenek
Antonio Rosato
Alberto (call-in user 3)
Alexandre Bonvin
Callin-user 4
Laura, Jesus, Jose Maria (Madrid)
Jerome Revillard
Gergely Sipos

CryoEM on the cloud (Laura):
- Meeting on the 24th of Nov with EGI FedCloud support team (Diego, Enol) to discuss possible setup
- Run into issue with MPI and NSF. Working on this. Ales to check whether the 32 core CESNET entry in AppDB is correct, and whether the memory allocation for it could be increased. (so there would be no need for MPI)
- Waiting for memory upgrade on CESNET site (because SCIPION  workflows require lot of memory)
- CESNET solved some problems we faced with block storage
- Meeting with Jan Pet (Surfsara) on Sept 30 to discuss how to deploy SCIPION there. They are not yet on the Federated Cloud, and they may join this, or we deploy SCIPION there in another way. Collaboration between Surfsara and nanoscopy site of the NL is still to define (high capacity network between the two sites?) Alexandre will have a meeting with Surfsara tomorrow and will bring this up.

GPGPU portals (Antonio):
- Portal is already running at INFN. A VM-based version is under development
- Alexandre's team is building Docker containers relating to CryoEM-related. Next steps will be to build web portals about this that could submit to the grid (gLite)
- Next question is how many GPU resources will be available in EGI production facility?
- No delay foreseen in
* D6.7 Implementation and evaluation of AMBER and/or GROMACS (R), M13 (03.2016) - by T2
* D6.12 GPGPU-enabled web portal(s) for MoBrain (OTHER), M16 (06.2016) - by T2&3
- Gergely to move the documentation from the AMB wiki section to the MoBrain section. The content was moved to this new section on the MoBrain CC page:
https://wiki.egi.eu/wiki/Competence_centre_MoBrain#Technical_documentations

Integrating the micro- (WeNMR/INSTRUCT) and macroscopic (NeuGRID4you) virtual research communities (Jerome)
- Experimenting with FedCloud to instantiate the LifeRay MoBrain portal. This should be up and running before the end of the year. They use the fedcloud.egi.eu VO at the moment and will move to the WeNMR VO later. We need to find a site that would support this.
- Gergely to send the EGI-Engage deliverable template to Jerome so he can start writing the content about this for D6.4 (due for review at the end of January)

Upcoming events
- 1-week course in April in Utrecht (more baout WeNMR part of MoBrain)

Next meeting
- January 14th, 3pm. Agenda page with webex details: https://indico.egi.eu/indico/conferenceDisplay.py?confId=2795