ADD: q-e@7.5
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@@ -20,6 +20,20 @@ Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electr
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Quantum ESPRESSO is an open initiative, in collaboration with many groups world-wide, coordinated by the Quantum ESPRESSO Foundation. Scientific work done using Quantum ESPRESSO should contain an explicit acknowledgment and reference to the main papers (see Quantum Espresso Homepage for the details).
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## How to run on Merlin7
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### 7.5
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### CPU nodes
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```bash
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module purge
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module use Spack unstable
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module load gcc/12.3 openmpi/5.0.9-xqhy-A100-gpu quantum-espresso/7.5-zfwh-omp
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```
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### GH nodes
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```bash
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module purge
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module use Spack unstable
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module load nvhpc/25.7 openmpi/4.1.8-l3jj-GH200-gpu quantum-espresso/7.5-2ysd-gpu-omp
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```
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### 7.4.1
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### A100 nodes
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```bash
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module purge
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