Re: [QE-users] Large input problem

2019-05-31 Thread Paolo Giannozzi
You may find benchmarks here: https://github.com/QEF/benchmarks. Some of them are large. Paolo On Fri, May 31, 2019 at 8:46 AM 刘泽世 wrote: > Dear QE Developers, > > I'm working on accelerating the QM/MM lib (especially the QE part of the > lib), and need a large input problem that can generate

[QE-users] Large input problem

2019-05-30 Thread 刘泽世
Dear QE Developers, I'm working on accelerating the QM/MM lib (especially the QE part of the lib), and need a large input problem that can generate tens of GB memory footprint. Can you give me a hint on how to generate such a input problem? Thank you. I appreciate your help. Zeshi