Beginner's notes on running Quantum Espresso and NVIDIA Singularity container
Quantum Espresso Singularity image
Quantum Espresso Singularity image
Quantum Espresso
(QE 7.1 pw.x): real_space flag and GPU
Is it a good idea to turn on real_space when using GPU?
Is it a good idea to turn on real_space when using GPU?
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Slurm batch script for a single node in Hamsi (TRUBA)
Exclusive single node Q-E calculation on Hamsi (TRUBA)
Exclusive single node Q-E calculation on Hamsi (TRUBA)
GPU compilation of Quantum Espresso
Compiling Quantum Espresso for GPU
Compiling Quantum Espresso for GPU
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Quantum Espresso with GPU benchmark 2
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Quantum Espresso with GPU benchmark 1
GPU-enabled Quantum Espresso benchmarks on Forever Diamond (a gaming PC)
GPU-enabled Quantum Espresso benchmarks on Forever Diamond (a gaming PC)
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