Materials Studio 5.0 - Update 1

This update contains a fix to an issue with CASTEP, an updated definition for the Flexible Library, and several minor issues in Materials Studio 5.0. To update your existing installation of Materials Studio 5.0, you can choose to download a new full installer for Materials Studio 5.0.1 or to just replace your existing CASTEP executables or fix the Flexible Library issue using hotfixes. The options are:

  • Download the new full installer and re-install Materials Studio. You can obtain the full installer from the Accelrys electronic software distribution (ESD) site.
  • Use Hotfix1 below to update CASTEP on Linux.
  • Use HotFix2 below to update the Flexible Library definitions

For more details on the changes contained in this update, see Materials Studio 5.0 Updates.

Installation of the CASTEP HotFix

On Linux: Download MS50HotFix1.tar.gz (HTTP|FTP) and execute the following commands:

1. Decompress and untar the archive

tar -xzf MS50HotFix1.tar.gz

This operation creates two specific CASTEP binaries


These serial (castepexe.exe) and parallel (castepexe_mpi.exe) executables should be used on x86-64 hardware. They should replace the executables provided with the 5.0 Materials Studio release.

2. From the command line, locate the installation directory for Materials Studio:


where $MS_INSTALL_ROOT is the location of the Materials Studio installation on the Linux server.

3. Create backup copies of the CASTEP binaries in the installation directory

cp $MS_INSTALL_ROOT/bin/castepexe.exe $MS_INSTALL_ROOT/bin/castepexe_bak.exe
cp $MS_INSTALL_ROOT/bin/castepexe_mpi.exe $MS_INSTALL_ROOT/bin/castepexe_mpi_bak.exe

4. Replace both castepexe.exe and castepexe_mpi.exe with the binaries from the patch archive, overwriting the original files.

cp MS50HotFix1/castepexe.exe $MS_INSTALL_ROOT/bin
cp MS50HotFix1/castepexe_mpi.exe $MS_INSTALL_ROOT/bin

Note: Restarting the gateway is not necessary.

Installation of the Flexible Library HotFix

On Windows: Download MS50HotFix2.exe(HTTP|FTP)

1. Ensure you are logged in with Administrative privileges

2. Run the MS50HotFix2.exe to unpack the hotfix

3. Copy the resulting file \MS50HotFix2\lp_version.lic to \Program Files\Accelrys\LicensePack\share\data\server

On Linux: Download MS50HotFix2.tar.gz(HTTP|FTP)

1. Decompress and untar the archive

tar -xzf MS50HotFix2.tar.gz

This operation creates a file:


This file replaces the lp_version.lic file provided with the Materials Studio 5.0 release.

2. Replace the lp_version.lic in the appropriate directory in your Accelrys License Pack installation with the file from the patch archive:

cp MS50HotFix2/lp_version.lic <License Pack Installation>/LicensePack/share/data/server

Note: Restarting the gateway is not necessary.