Usage

Structure_wrapper provides its own binary for Structure. However, this binary has not been compiled for or tested on HiPerGator. This means that, when using Structure, your job scripts should load the structure module and the structure_threader module:

module load structure/2.3.4
module load structure_threader/1.3.10

In addtion, when you call structure_threader, pass the -st flag with the path to the HiPerGator-provided Structure binary (using the ${HPC_STRUCTURE_BIN} environment variable from the module:

structure_threader run ... -st ${HPC_STRUCTURE_BIN}/structure