From 9407024d99784b4c4a2bbdddcb7ba051d60eb07f Mon Sep 17 00:00:00 2001 From: germann_e Date: Mon, 12 May 2025 13:55:42 +0200 Subject: [PATCH] FIX: actuall qe-7.4 GH works, just not develop branch --- pages/merlin7/05-Software-Support/quantum-espresso.md | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/pages/merlin7/05-Software-Support/quantum-espresso.md b/pages/merlin7/05-Software-Support/quantum-espresso.md index f8104ad..54d30b9 100644 --- a/pages/merlin7/05-Software-Support/quantum-espresso.md +++ b/pages/merlin7/05-Software-Support/quantum-espresso.md @@ -117,7 +117,9 @@ make [-jN] ``` #### GH200 -Unfortunately this doesn't work with the develop version of Q-E, it fails at ~40% because of an internal error. This could be solved with a new nvhpc compiler, but since PSI decided to go away from GH nodes I am not sure this is worth invastigating. Please go back to A100 or try to correct the fortran module that fails... +Unfortunately this doesn't work with the develop version of Q-E, it fails at ~40% because of an internal compiler error. This could be solved with a new nvhpc compiler, but since PSI decided to go away from GH nodes I am not sure this is worth invastigating. Please go back to A100 if you absolutely want the develop version or try to go back to 7.4 for the fortran module that fail... + +!! UPDATE: Actually it works with qe-7.4! So you can also just checkout from this branch and not development and add your changes to this branch !! ```bash module purge @@ -126,6 +128,7 @@ module use unstable module load nvhpc/24.11 openmpi/main-7zgw-GH200-gpu fftw/3.3.10-omp hdf5/1.14.5-zi5b nvpl-blas/0.3.0-omp nvpl-lapack/0.2.3.1-omp netlib-scalapack/2.2.0 cmake/3.30.5-f4b7 cd +git checkout qe-7.4 # + cherry-pick your changes or rebase mkdir build cd build