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ShengBTE

ShengBTE is a solver for the Boltzmann transport equation for phonons.

ShengBTE is available as a module on Apocrita.

Usage

To run the latest installed version of ShengBTE, simply load the shengbte module:

module load shengbte
ShengBTE 2>file.err >file.out

For full usage documentation, see the README.md file.

Example jobs

Using the CONTROL file

ShengBTE jobs require a CONTROL file present in the working directory.

Serial job

Here is an example job using 4 cores and 4GB of memory:

#!/bin/sh
#$ -cwd
#$ -j y
#$ -pe smp 4
#$ -l h_vmem=1G
#$ -l h_rt=1:0:0

module load shengbte

ShengBTE 2>file.err >file.out

Parallel job

Here is an example job using 2 nxv nodes:

#!/bin/sh
#$ -cwd
#$ -j y
#$ -pe parallel 64
#$ -l infiniband=nxv
#$ -l h_rt=1:0:0

module load shengbte

mpirun -np ${NSLOTS} ShengBTE 2>file.err >file.out

References