Add Urania machine

support/Machines/Urania.yaml

@@ -0,0 +1,11 @@
+# Distributed under the MIT License.
+# See LICENSE.txt for details.
+
+Machine:
+  Name: Urania
+  Description: |
+    Supercomputer at the Max Planck Computing Data Facilty.
+  DefaultProcsPerNode: 72
+  DefaultQueue: "p.urania"
+  DefaultTimeLimit: "1-00:00:00"
+  LaunchCommandSingleNode: ["srun", "-n", "1"]

support/SubmitScripts/Urania.sh

@@ -0,0 +1,65 @@
+{% 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/clusters/systems/Gravitational_Physics_ACR.html
+
+{% block head %}
+# Standard output and error:
+#SBATCH -o ./tjob.out.%j
+#SBATCH -e ./tjob.err.%j
+# Initial working directory:
+#SBATCH -D ./
+# Number of MPI Tasks, e.g. 4:
+#SBATCH --nodes {{ num_nodes | default(1) }}
+#SBATCH --ntasks-per-node=1
+#SBATCH --ntasks-per-core=1
+#SBATCH --cpus-per-task=72
+# Memory usage [MB] of the job is required, 2200 MB per task:
+#SBATCH --mem=240000
+# Wall clock limit:
+#SBATCH -t {{ time_limit | default("1-00:00:00") }}
+#SBATCH -p {{ queue | default("p.debug") }}
+{% endblock %}
+
+{% block charm_ppn %}
+# One thread for communication
+CHARM_PPN=$(expr ${SLURM_CPUS_PER_TASK} - 2)
+{% endblock %}
+
+{% block list_modules %}
+# Load compiler and MPI modules with explicit version specifications,
+# consistently with the versions used to build the executable.
+module purge
+module load gcc/11
+module load impi/2021.7
+module load boost/1.79
+module load gsl/1.16
+module load cmake/3.26
+module load hdf5-serial/1.12.2
+module load anaconda/3/2021.11
+
+# Load Spack environment
+source /u/guilara/repos/spack/share/spack/setup-env.sh
+spack env activate env3_spectre_impi
+
+# Define Charm paths
+export CHARM_ROOT=/u/guilara/charm_impi_2/mpi-linux-x86_64-smp
+export PATH=$PATH:/u/guilara/charm_impi_2/mpi-linux-x86_64-smp/bin
+
+# Spectre directories
+export SPECTRE_HOME=/u/guilara/repos/spectre
+export SPECTRE_BUILD_DIR=${SPECTRE_HOME}/build_develop
+# Load python environment
+source $SPECTRE_HOME/env/bin/activate
+{% endblock %}
+
+{% block run_command %}
+srun -n ${SLURM_NTASKS} ${SPECTRE_EXECUTABLE} \
+    --input-file ${SPECTRE_INPUT_FILE} \
+    ++ppn ${CHARM_PPN} +pemap 0-34,36-70 +commap 35,71 \
+    ${SPECTRE_CHECKPOINT:+ +restart "${SPECTRE_CHECKPOINT}"} > tjob.out
+{% endblock %}