2022.04.25
Materials Studio 2022 has been opened on TSUBAME. Discovery Studio is only for software distribution because it does not work on TSUBAME.
Materials Studio is an application that uses some scripts on the installation directory.
module command can not be used.
Some configurations are required as follows.
・installation directory
/apps/t3/sles12sp2/isv/materialsstudio/MaterialsStudio22.1/
・example : an execution script for DMol3 module
/apps/t3/sles12sp2/isv/materialsstudio/MaterialsStudio22.1/etc/DMol3/bin/RunDMol3.sh
・installation path of license manager
/apps/t3/sles12sp2/isv/discoverystudio/BIOVIA_LicensePack/
・environment variable of license manager
BIOVIA_LIC_PACK_DIR
・directives for the job script
#$ -v LD_LIBRARY_PATH=/apps/t3/sles12sp2/isv/materialsstudio/MaterialsStudio22.1/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/