Meeting Notes 05-24-2021
Minutes of Meeting May 24, 2021
Links for Today’s Meeting
Powerpoint of Argonne Talk 2021-05-SBI-ANL.pptx
PDF of Argonne Talk 2021-05-SBI-ANL.pdf
Present
Argonne: Min Si, Xiaodong Yu
**Indiana: **Geoffrey Fox, Vikram Jadhao, Gregor von Laszewski
Rutgers: Shantenu Jha
UTK: Jack Dongarra, Piotr Luszczek
Argonne Presentation
Xiaodong Yu’s described 3 surrogates being developed at Argonne
Application 1 **PtychoNN: Ptychographic Imaging Reconstruction phase reconstruction **
Here the challenge is to determine phases from Xray scattering data with paper. The surrogate is being extended to run using Horovod on the multi-GPU ThetaGPU system.
Application 2: Geophysical Forecasting
This involves LSTM forecast models combined with a neural architecture search NAS using deephyper in original paper which ran on Theta without GPUs.
Application 3: Molecular dynamics (MD) simulation
This is multiscale modeling of SARS-CoV-2 in the CANDLE project which received the 2020 ACM Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.
Shantenu Jha was a co-author on their paper “AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics”.
Other Business We discussed adding material to the website.
Annual Report
We just received the request from DOE for an annual report abstracted below, We could discuss (unfortunately it is due before our next meeting) a common text that we could use as part of each report.
The Office of Advanced Scientific Computing Research (ASCR) within the Department of Energy Office of Science requests that you submit a Progress Report for the award listed below. To create and submit the Progress Report, please use the DOE Office of Science Portfolio Analysis and Management System (PAMS).
Task: Submit Progress Report (Link)
Due Date: 06/24/2021 5:00 PM ET
Reporting Period: 09/23/2020 - 09/22/2021
Next Meeting
Our meetings are 1 pm Eastern on the 4th Monday of each month
This implies Monday, June 28, 1 pm at zoom https://iu.zoom.us/j/2301429329
In the June meeting, Shantenu Jha will lead a discussion of surrogates.