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Commit aac62fd8 authored by Andrew Emerson's avatar Andrew Emerson
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Update README.md of QE

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......@@ -228,11 +228,15 @@ sbatch myjob
## UEABS test cases
In the following table we give the test sets available with this respository. We include here the small test A input
since it allows rapid testing of the QE installation, but for benchmark purposes it has been superseded with the medium input
(test case C).
| UEABS name | QE name | Description | k-points | Notes|
|------------|---------------|-------------|----------|------|
| Small test case | AUSURF | 112 atoms | 2 | < 4-8 nodes on most systems |
| Large test case | GRIR443 | 432 | 4| Medium scaling, often 20 nodes |
| Very Large test case | CNT | Carbon nanotube | | Large scaling runs only. Memory and time requirements very high|
| test case A (small) | AUSURF | 112 atoms | 2 | < 4-8 nodes on most systems |
| test case C (medium)| GRIR443 | 432 | 4| Medium scaling, often 20 nodes |
| test case B (large) | CNT | Carbon nanotube | | Large scaling runs only. Memory and time requirements very high|
__Last updated: 22-October-2020__
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