Hello,
I applied MATCHPlus because I am a new user of ACCESS source. I used to work on the superconductors of Holland Computer Center. I just got access to Expanse today. And I tried a few features I am not familiar with on Expanse and I met a lot difficulties. So I do need a mentor to help me to go through the transferring, even though I am not sure now whether this request is included in your scope.
I need to use the softwares of python, jupyter notebooks, VASP, Lammps, USPEX, containers like singularity and docker. I am also interested in Pegasus to create my pipeline. However, I cannot understand how to use Pegasus to operate the files on Expanse. I am excited to study some software that can help me to accelerate my project. Can you give me some advices to work wisely? I really need an immediate help. Thank you!
Best,
Yinglu