HPC script example

Installation quick notes

Follows the installation guide for running gospl on HPC.

In most cases, MPI, PETSc and Hdf5 libraries for Python3 will be installed.

Using pip you will be able to install the remaining libraries locally (pip install XXXX --user).

PBS script example

After installation on HPC, you might be able to submit a job to the queue system using for example:

qsub job.pbs

Here is a minimal PBS script provided as an example, it is worth noting that the environment will likely depend on the HPC service you are using:

#!/bin/bash

# Project
#PBS -P PROJECTNAME

# 96 CPUs
#PBS -l select=12:ncpus=8:mpiprocs=8:mem=60GB


#PBS -l walltime=4:00:00
#PBS -M email@address
#PBS -m abe
#PBS -q ALLOCNAME

# set up environment
module load gcc/4.9.3 python/3.6.5 petsc-gcc-mpich/3.11.1

cd $PBS_O_WORKDIR

# Launching the job!
mpirun -np 96 python3 runMinimal.py

A minimal python file for gospl

where the runMinimal.py file will be of the form:

from gospl.model import Model as sim

input = "input.yml"

# Minimal model
model = sim(input, True, False)
model.runProcesses()
model.destroy()

Runtime

Here are some indicative wall times for 2 specific resolution ran for a 10 million years simulation:

Case 1

Resolution min:7.6 km, max:10.3 km, mean: 9.1 km

Pts number

CPU number

Wall time

CPU nodes

10612062

8

17:08:58

1

10612062

16

08:58:32

2

10612062

32

04:57:58

4

10612062

64

03:32:15

6

10612062

128

02:40:53

7

Case 2

Resolution min:4.8 km, max:7.6 km, mean: 6.0 km

Pts number

CPU number

Wall time

CPU nodes

17004184

64

07:28:41

4

17004184

96

06:38:11

4

17004184

128

05:29:51

6

17004184

144

04:59:49

6

17004184

168

03:31:14

7