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Add VASP QuickByte stub#249

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gmfricke wants to merge 5 commits into
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test-vasp-quickbyte
Open

Add VASP QuickByte stub#249
gmfricke wants to merge 5 commits into
masterfrom
test-vasp-quickbyte

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@gmfricke

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@pancho752327

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Need temporary access to “vasp6” group in order to continue working on the QuickByte, specifically gaining access to the VASP software. I also don’t have access to any of the 4 input files for VASP.

@pancho752327

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output of the .out file after running sbatch:

To request GPUs, add --gpus-per-node X or --gpus X, where X is the desired number of GPUs.
Job 853894 running on easley[015-016]
running 64 mpi-ranks, with 1 threads/rank, on 2 nodes
distrk: each k-point on 64 cores, 1 groups
distr: one band on 1 cores, 64 groups
vasp.6.4.3 19Mar24 (build May 17 2025 12:13:05) complex
POSCAR found : 0 types and 0 ions
scaLAPACK will be used

| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| XC_FOCK_READER: LUSE_VDW needs to be set to .TRUE. for using |
| nonlocal van der Waals functionals. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |

Added vasp6/license note. Included steps for setting up the example and what should be expected after running the job. Ensured that the script does run properly after including the required files.
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