From 18801845c237c4cc1131456d909e93654127aaf8 Mon Sep 17 00:00:00 2001 From: germann_e Date: Mon, 2 Jun 2025 16:15:58 +0200 Subject: [PATCH] FIX: QE GH now up-to-date --- .gitea/workflows/sbatch/q-e_cpu.sbatch | 3 +-- .gitea/workflows/sbatch/q-e_gh.sbatch | 8 ++++---- .gitea/workflows/sbatch/q-e_gpu.sbatch | 3 +-- 3 files changed, 6 insertions(+), 8 deletions(-) diff --git a/.gitea/workflows/sbatch/q-e_cpu.sbatch b/.gitea/workflows/sbatch/q-e_cpu.sbatch index c0c50e0..2469030 100755 --- a/.gitea/workflows/sbatch/q-e_cpu.sbatch +++ b/.gitea/workflows/sbatch/q-e_cpu.sbatch @@ -14,8 +14,7 @@ export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem PMODULES_VERSION='2.0.0.2' source /opt/psi/config/profile.bash -module use Spack -module use unstable +module use Spack unstable module load gcc/12.3 openmpi/main-syah fftw/3.3.10.6-omp hdf5/1.14.5-t46c openblas/0.3.29-omp cmake/3.31.6-oe7u git clone https://gitlab.com/QEF/q-e.git diff --git a/.gitea/workflows/sbatch/q-e_gh.sbatch b/.gitea/workflows/sbatch/q-e_gh.sbatch index 23f7882..9c57b9e 100755 --- a/.gitea/workflows/sbatch/q-e_gh.sbatch +++ b/.gitea/workflows/sbatch/q-e_gh.sbatch @@ -15,10 +15,10 @@ export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem PMODULES_VERSION='2.0.0.2' source /opt/psi/config/profile.bash -module use Spack -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 -git clone https://gitlab.com/QEF/q-e.git -b qe-7.4 +module use Spack unstable +module load nvhpc/25.3 openmpi/5.0.7-e3bf-GH200-gpu fftw/3.3.10-sfpw-omp hdf5/develop-2.0-ztvo nvpl-blas/0.4.0.1-3zpg nvpl-lapack/0.3.0-ymy5 netlib-scalapack/2.2.2-qrhq cmake/3.31.6-5dl7 + +git clone https://gitlab.com/QEF/q-e.git cd q-e mkdir build cd build diff --git a/.gitea/workflows/sbatch/q-e_gpu.sbatch b/.gitea/workflows/sbatch/q-e_gpu.sbatch index 53d423d..ab20114 100755 --- a/.gitea/workflows/sbatch/q-e_gpu.sbatch +++ b/.gitea/workflows/sbatch/q-e_gpu.sbatch @@ -15,8 +15,7 @@ export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem PMODULES_VERSION='2.0.0.2' source /opt/psi/config/profile.bash -module use Spack -module use unstable +module use Spack unstable module load nvhpc/25.3 openmpi/main-6bnq-A100-gpu fftw/3.3.10.6-qbxu-omp hdf5/develop-2.0-rjgu netlib-scalapack/2.2.2-3hgw cmake/3.31.6-oe7u git clone https://gitlab.com/QEF/q-e.git cd q-e