Differences

This shows you the differences between two versions of the page.

--- admin:compilaciones:quantum-espresso [2025/08/12 18:22] – bbruzzo
+++ admin:compilaciones:quantum-espresso [2026/08/25 20:14] (current) – joaquintorres
@@ Line 40: / Line 40: @@
 <code>
 curl -LO http://people.sissa.it/%7Edalcorso/thermo_pw/thermo_pw.2.0.1.tar.gz
-tar -xzvf http://people.sissa.it/%7Edalcorso/thermo_pw/thermo_pw.2.0.1.tar.gz
+tar -xzvf thermo_pw.2.0.1.tar.gz
 cd thermo_pw
 make join_qe
@@ Line 260: / Line 260: @@
 # Install directory - "make install" copies *.x executables there
 PREFIX = /data/shared/apps/quantum-espresso/7.3.1
+</code>
+==== GPU ====
+<code>
+ml intel libxc/6.2.2 ucx/1.15.0-intel hdf5/1.14.6 cmake
+mkdir build
+cd build
+cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_FLAGS="-fiopenmp" -DCMAKE_Fortran_FLAGS="-fiopenmp" -DQE_ENABLE_OPENMP=ON -DQE_GPU="openmp;oneapi" -DQE_ENABLE_LIBXC=ON -DLIBXC_ROOT=/data/shared/apps/libxc/6.2.2 -DQE_ENABLE_HDF5=ON -DHDF5_ROOT=/data/shared/apps/hdf5/1.14.6 ../
+make -j 16
 </code>