Monitor Available Nodes

MITLevi Lentz0

Hello All, Sorry this one is a bit late, classes are really picking up. As part of my roles in the Kolpak Group, I am responsible for administration of all of our computational resources at MIT. We have one large 32 node cluster, with 16 processors/node as well as several other smaller clusters. We have…

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SCF files the Python Way

MITLevi Lentz10

Hello All, Week two of my personal post-a-week challenge. I have been practicing automating my workflow and I have another quick script. Using my QE module that I talked about last week, I made a quick script that will develop the SCF, NSCF, DOS, and PDOS files. These are the files needed for a density…

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