Crystal on c11-cluster:

• Installed Path : source /opt/CRYSTAL2003/utils03/cry2k3.bashrc

Genie on c11-cluster:

• Installed Path : source /opt/apps/GENIE/genie_load

Openmpi on c11-cluster:

• That can be accessed/loaded by
• : module load openmpi-2.0

Application Installed in C12-Cluster:

• VASP, Gaussion , Gaussview, Demon , CASINO, Qwalk, siesta-3.2,
• Parrallel Stdio XE 2016 and Parrallel Stdio XE 2017, 2018 installed & configured
• Intel Cluster Studio Version 2013 is avialable as default.

VASP 5.2

• Installed Path:/opt/apps/vasp/vasp.5.2/vasp
• You must contact Prof. Prasenjit Sen before using VASP.

vasp-gamma and vasp-noncollinear on c12-cluster

• Installed Path:/c12scratch/vasp-test/vasp.5.3/vasp-noncollinear
• Installed Path:/c12scratch/vasp-test/vasp.5.3/vasp-gamma

• You must contact Prof. Prasenjit Sen before using VASP.

VASP 5.4.1

• Installed Path : /c12scratch/vasp5.4.1/build/std/vasp
• Installed Path : /c12scratch/vasp5.4.1/build/gam/vasp
• Installed Path : /c12scratch/vasp5.4.1/build/ncl/vasp
• You must contact Prof. Prasenjit Sen before using VASP.

Intel Parrallel Studio 2016:

• Installed Path For 64-bit : source /opt/parallel_studio_xe_2016/start.sh intel64
• Installed Path For 32-bit : source /opt/parallel_studio_xe_2016/start.sh ia32

Intel Parrallel Studio 2017:

• Installed Path For 64-bit : source /opt/parallel_studio_xe_2017/start.sh intel64
• Installed Path For 32-bit : source /opt/parallel_studio_xe_2017/start.sh ia32

Intel Parrallel Studio 2018:

• Installed Path For 64-bit : source /opt/parallel_studio_2018/start_2018.sh
• Installed Path For 32-bit : source /opt/parallel_studio_2018/start.sh ia32

Openmpi on c12-cluster

• That can be accessed/loaded by
• : module load openmpi-2.0

GLoBES 3.1.11

• Installed Path : /opt/globes3217/include/globes/globes.h

Application Installed in C13-Cluster

• VASP,crystal, gamess, globes/3.0.11, gsl/2.5, intel/2013, intel/2017, openmpi/4.0.0, siesta/4.0.2, vasp/5.4.4 espresso/6.3, gcc/8.2.0, gnuplot/5.2.5, hdf5/1.8.20, intel/2016, intel/2018, root/6.14.06
• Parrallel Stdio XE 2016 and Parrallel Stdio XE 2017, 2018 installed & configured
• Intel Cluster Studio Version 2013 is avialable as default.

Installed Applications in c13-cluster

• module avail : This command can be used to see availbale packages
• crystal/0.27.0, gamess/ifort, globes/3.0.11, gsl/2.5, intel/2013, intel/2017, openmpi/4.0.0, siesta/4.0.2, vasp/5.4.4, espresso/6.3, gcc/8.2.0, gnuplot/5.2.5, hdf5/1.8.20, intel/2016, intel/2018, root/6.14.06

Available packages can be accessed/loaded by module command

• You must contact Prof. Prasenjit Sen before using VASP.

• : module load {PACKAGE-NAME}