[Pw_forum] Computer Specification for running QE

Karim Elgammal egkarim at gmail.com
Wed Nov 8 15:33:28 CET 2017


QE can run wherever you have a working fortran compiler...whether it is
sufficient or not depends on the calculations details..i.e. specified k
point mesh, cutoffs...etc..probably you will get troubles with sufficient
memory or not depending if you run in parallel on just single
core...ofcourse you can get memory related problems even if running in
parallel..I can advice you to compile it in parallel and start with very
small k-point mesh then restart the calculation with larger k-point mesh
until fail so you know the limits of your PC w.r.t the problem to be solved.

Karim Elgammal
KTH
SE
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