BoltzTraP

Description

BoltzTraP (Boltzmann Transport Properties) is a program for calculating the semi-classic transport coefficients.

User instructions

BoltzTraP is installed as a module and can be added to the environment using

$ module load boltztrap/1.2.5

Documentation is available at the BoltzTraP website.

Source

http://www.icams.de/content/departments/cmat/boltztrap/

License

GNU General Public License (v3).

Admin notes

This is a straightforward compilation. Once just needs to edit the Makefile to set the compiler and flags and run make. I used the following settings (with the intel and mkl modules loaded).

FC = ifort
FOPT = -O3 -mp1 -prec-div -pc80 -pad -ip -DINTEL_VML
LDFLAGS = $(FOPT)
LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core

Following compilation the main executable and associated csh script were copied to a bin directory in /common.