- Description
- The Atomic Energy NETwork (ænet) package is a collection of tools for the construction and application of atomic interaction potentials based on artificial neural networks (ANN).
- Modulefile
aenet- Documentation
- aenet homepage
$AENET_DIR/doc/- Note
generate.x does not appear to be paralleled. Do not run it with mpirun to avoid launching multiple copies of the same process.- Usage
- Here is an example of a submission script:
#$ -cwd
#$ -l h_rt=01:00:00
#$ -pe ompi* 4
module purge
module load gcc openmpi/gcc aenet
mpirun train.x train.in