Add Viper machine

Fix

Author: guilara

support/Environments/viper.sh

@@ -0,0 +1,62 @@
+#!/bin/env sh
+
+# Distributed under the MIT License.
+# See LICENSE.txt for details.
+
+spectre_load_modules() {
+    module load gcc/13
+    module load impi/2021.11
+    module load boost/1.83
+    module load gsl/2.7
+    module load cmake/3.30
+    module load hdf5-serial/1.14.1
+    module load python-waterboa/2024.06
+    module load doxygen/1.10.0
+    module load paraview/5.11
+    # Load Spack environment
+    source /u/guilara/repos/spack/share/spack/setup-env.sh
+    spack env activate env3_spectre_impi
+    # Load python environment
+    source /u/guilara/envs/spectre_env/bin/activate
+    # Define Charm paths
+    export CHARM_ROOT=/u/guilara/charm_impi/mpi-linux-x86_64-smp
+    export PATH=$PATH:/u/guilara/charm_impi/mpi-linux-x86_64-smp/bin
+}
+
+spectre_unload_modules() {
+    module load gcc/13
+    module load impi/2021.11
+    module load boost/1.83
+    module load gsl/2.7
+    module load cmake/3.30
+    module load hdf5-serial/1.14.1
+    module load python-waterboa/2024.06
+    module load doxygen/1.10.0
+    module load paraview/5.11
+    # Unload Spack environment
+    spack env deactivate
+    # Unload python environment
+    deactivate
+}
+
+spectre_run_cmake() {
+    if [ -z ${SPECTRE_HOME} ]; then
+        echo "You must set SPECTRE_HOME to the cloned SpECTRE directory"
+        return 1
+    fi
+    spectre_load_modules
+
+    cmake -D CMAKE_C_COMPILER=gcc \
+          -D CMAKE_CXX_COMPILER=g++ \
+          -D CMAKE_Fortran_COMPILER=gfortran \
+          -D CHARM_ROOT=$CHARM_ROOT \
+          -D CMAKE_BUILD_TYPE=Release \
+          -D DEBUG_SYMBOLS=OFF \
+          -D BUILD_SHARED_LIBS=ON \
+          -D MEMORY_ALLOCATOR=JEMALLOC \
+          -D BUILD_PYTHON_BINDINGS=ON \
+          -D MACHINE=Viper \
+          -D SPEC_ROOT=/u/guilara/repos/spec \
+          -D Catch2_DIR=/u/guilara/repos/Catch2/install_dir/lib64/cmake/Catch2 \
+          "$@" $SPECTRE_HOME
+}

support/Machines/Viper.yaml

@@ -0,0 +1,11 @@
+# Distributed under the MIT License.
+# See LICENSE.txt for details.
+
+Machine:
+  Name: Viper
+  Description: |
+    Supercomputer at the Max Planck Computing Data Facilty.
+  DefaultProcsPerNode: 128
+  DefaultQueue: "p.general"
+  DefaultTimeLimit: "1-00:00:00"
+  LaunchCommandSingleNode: ["srun", "-n", "1"]

support/SubmitScripts/Viper.sh

@@ -0,0 +1,36 @@
+{% extends "SubmitTemplateBase.sh" %}
+
+# Distributed under the MIT License.
+# See LICENSE.txt for details.
+
+# Supercomputer at the Max Planck Computing Data Facility.
+# More information:
+# https://docs.mpcdf.mpg.de/doc/computing/viper-user-guide.html
+
+{% block head %}
+{{ super() -}}
+#SBATCH --nodes {{ num_nodes | default(1) }}
+#SBATCH --ntasks-per-node=1
+#SBATCH --ntasks-per-core=1
+#SBATCH --cpus-per-task=128
+#SBATCH -t {{ time_limit | default("1-00:00:00") }}
+#SBATCH -p {{ queue | default("p.general") }}
+{% endblock %}
+
+{% block charm_ppn %}
+# Two thread for communication
+CHARM_PPN=$(expr ${SLURM_CPUS_PER_TASK} - 2)
+{% endblock %}
+
+{% block list_modules %}
+source ${SPECTRE_HOME}/support/Environments/viper.sh
+spectre_load_modules
+
+{% endblock %}
+
+{% block run_command %}
+srun -n ${SLURM_NTASKS} ${SPECTRE_EXECUTABLE} \
+    --input-file ${SPECTRE_INPUT_FILE} \
+    ++ppn ${CHARM_PPN} +pemap 0-62,64-126 +commap 63,127 \
+    ${SPECTRE_CHECKPOINT:+ +restart "${SPECTRE_CHECKPOINT}"}
+{% endblock %}