Comments (2)
sblisesivdin
commented on July 23, 2024
OK. These benchmarks are GPAW benchmarks and not very related to gpaw-tools. However, it is showing the possible usage of gpawsolve.py file as a benchmark script. For the near future, I can install ase/gpaw/gpaw-tools to remaining computers in the LRG's old and new PCs and it will give us a wide spectrum of benchmarks for PCs.
I will write an answer to #3 soon. Therefore this issue can be remained open.
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sblisesivdin
commented on July 23, 2024
I added 3 new PC's benchmark timings.
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Related Issues (20)
- GW0 or G0W0? HOT 1
- Code is not working with calling gpaw HOT 1
- The lastest gg.py can load config file only from main directory HOT 1
- Unnecessary variables in config files HOT 1
- Cannot change number of points and smearing width in DOS calculations.
- Need to use many XC functionals with gpawsolve.py
- -r arg is not giving a proper error when file is not found HOT 1
- Electron density calculations are not compatible with Bader HOT 1
- Variable naming is not very elegant HOT 2
- Is `shrinkgpw.py` necessary? HOT 1
- Methods / Features table must be controlled HOT 1
- Spin calculation do not work with gpaw version 22.1.0 HOT 1
- Behaviour of button in "Load Structure" tab
- Restart mode must be enhanced for Band and Optical Calculations HOT 1
- Occupation method is missing HOT 1
- quickoptimize.py must be enhanced HOT 2
- gg.py can not invoke threads in hyperthreading-enabled devices
- G0W0 Problem
- Sometimes quickoptimize.py is giving duplicated atoms HOT 2
- Better Python usage? HOT 2
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