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Update vasp.md #260

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Oct 16, 2023
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Update vasp.md #260

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Update vasp.md
alvarovm Aug 26, 2023
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Merge branch 'main' into alvarovm-patch-1
felker Oct 16, 2023
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5 changes: 3 additions & 2 deletions docs/polaris/applications-and-libraries/applications/vasp.md
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Expand Up @@ -111,9 +111,10 @@ The follow modules will update the include and libraries paths used by the Cray

```
module purge
module load nvhpc/23.3
module load PrgEnv-nvhpc
module load cray-libsci
module load craype-accel-nvidia8
module load craype-accel-nvidia80
```

Expand Down Expand Up @@ -159,7 +160,7 @@ chmod +x example-script.sh
qsub example-script.sh
```

### Known issues versions: >= 6.4.0 in Polaris
### Known issues versions: >= 6.4.x in Polaris
---

* Undefined `MPIX_Query_cuda_support` function at linking binary: This function is called in `src/openacc.F`. The `MPIX_Query_cuda_support` is not included in`cray-mpich`. One workaround to this
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