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aac62fd8
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3 years ago
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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since it allows rapid testing of the QE installation, but for benchmark purposes it has been superseded with the medium input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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