One of the research groups on the cluster I manage requested help in compiling VASP 5.3 (the Vienna Ab-intitio Simulation Package), code for electronic structure calculations and QM molecular dynamics from first principles. Like many research codes, the build procedure is a bit difficult owing to legacy stuff.
I updated the makefiles for my build, to more current GNU Make standards. They worked for me; however, I make no guarantee that they will work for you. In fact, they will likely not work for you without modification. In any case, the repo is on GitHub. Fork away!
https://github.com/prehensilecode/vasp_makefiles_proteus
Showing posts with label intel composer xe. Show all posts
Showing posts with label intel composer xe. Show all posts
2015-08-21
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