From 1d6e8da71b9ea16055126da98a1f8aec745a1d3a Mon Sep 17 00:00:00 2001
From: germann_e <elsa.germann@psi.ch>
Date: Tue, 18 Nov 2025 16:05:12 +0100
Subject: [PATCH] ADD: q-e-sirius support

---
 .../05-Software-Support/quantum-espresso.md   | 24 +++++++++++++++++++
 1 file changed, 24 insertions(+)

diff --git a/pages/merlin7/05-Software-Support/quantum-espresso.md b/pages/merlin7/05-Software-Support/quantum-espresso.md
index b69649a..fc22c5e 100644
--- a/pages/merlin7/05-Software-Support/quantum-espresso.md
+++ b/pages/merlin7/05-Software-Support/quantum-espresso.md
@@ -127,3 +127,27 @@ cd build
 cmake -DQE_ENABLE_MPI:BOOL=ON -DQE_ENABLE_OPENMP:BOOL=ON -DQE_ENABLE_SCALAPACK:BOOL=ON -DQE_ENABLE_CUDA:BOOL=ON -DQE_ENABLE_MPI_GPU_AWARE:BOOL=ON -DQE_ENABLE_OPENACC:BOOL=ON -DCMAKE_C_COMPILER:STRING=mpicc -DCMAKE_Fortran_COMPILER:STRING=mpif90 -DQE_ENABLE_HDF5:BOOL=ON ..
 make [-jN]
 ```
+
+## Q-E-SIRIUS
+
+SIRIUS enabled fork of QuantumESPRESSO
+
+### CPU
+```bash
+module purge
+module use Spack unstable
+module load gcc/12.3 openmpi/5.0.8-mx6f
+```
+
+### A100 nodes
+```bash
+module purge
+module use Spack unstable
+module load gcc/12.3 openmpi/5.0.8-lsff-A100-gpu q-e-sirius/1.0.1-7snv-omp
+```
+### GH nodes
+```bash
+module purge
+module use Spack unstable
+module load gcc/12.3 openmpi/5.0.8-tx2w-GH200-gpu q-e-sirius/1.0.1-3dwi-omp
+```