MuST uses make to compile the package and create executables. You have an option of doing a full install, or only installing certain packages like MST, LSMS etc. For simplicity, a full install is recommended.

Partial Installation

The code MST (under MST/) and LSMS/WL-LSMS (under lsms/) can be built separately by running make under MST and lsms. The executables can be found under MST/bin and lsms/bin, respectively. It requires to create archietecture.h under MST and lsms using symbolic link. Steps are as follows

  • To build MST

    1. cd MST

    2. set SystemName in Makefile (at line 6) to a proper name, or execute the following command::

      ln -s arch/architecture_file architecture.h

    3. make

  • To build LSMS/WL-LSMS

    1. cd lsms

    2. ln -s arch/architecture_file architecture.h

    3. make

Notes to the user of Fedora systems

MST may require using External Data Representation (XDR) library to store potential and charge density data. Unfortunately, the latest Fedora Linux system does not place the library in conventional locations. Therefore, before installing MuST or MST, please make sure that /usr/include/tirpc and /usr/include/tirpc/rpc exist. If not, you need to ask your system administrator to istall libtirpc and librirpc-devel for you, or to run the following command if you have the sys-admin privilige: .. parsed-literal:

sudo dnf install libtirpc libtirpc-devel