Software setup for the group workstation Dade
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Need to enable scp/rsync to other supercomputers (namely, the RDF) - will it all need to go via the proxy?
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C and fortran compilers: GNU, intel
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openmpi: compiled with intel and gnu (if two versions of openmpi can play niceley with each other - I had trouble on MacOS)
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Research tools: Git, conda (to enable python packages installed into users home), Julia, Jupyter (with python and julia kernels)
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Quantum chemistry codes: VASP (consistency with Oswald), AIMS, Phonopy, Phono3py, LAMMPS (with Reax-FF user package), sxdefectalign, TDEP, cluster expansion
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Misc: figlet on start-up! Dade (with figlet), beneath - Their crime is curiosity.