2023.05.18
Materials Studio 2023 has been released on TSUBAME.
Materials Studio is an application that uses scripts that are located on the installation directory.
It can not be used via module command.
The following configuration is necessary.
/apps/t3/sles12sp2/isv/materialsstudio/MaterialsStudio23.1/
・example: a script for DMOL3 modul execution
/apps/t3/sles12sp2/isv/materialsstudio/MaterialsStudio23.1/etc/DMol3/bin/RunDMol3.sh
・license manager installation path
/apps/t3/sles12sp2/isv/discoverystudio/BIOVIA_LicensePack/
・license manager environment variable
BIOVIA_LIC_PACK_DIR
・additions to the job script
#$ -v LD_LIBRARY_PATH=/apps/t3/sles12sp2/isv/materialsstudio/MaterialsStudio23.1/lib:/apps/t3/sles12sp2/isv/discoverystudio/BIOVIA_LicensePack/linux/lib/:$LD_LIBRARY_PATH #$ -v BIOVIA_LIC_PACK_DIR=/apps/t3/sles12sp2/isv/discoverystudio/BIOVIA_LicensePack/
For more detail, please refer to User's Guide.
On-campus software distribution has been also started, please refer to software distribution.