HRI-HPC software

Installed Applications in Respective Cluster

Software section contains information about the Application / Packages installed in the respective cluster that make up HPC, as well as details about Application / Packages that have been used on HPC resources.

Application Installed in C6-Cluster and Workstation

C5pc00 is available for Grid Mathematica
C6-Cluster is available for Mathematica
Matlab is available on All running cluster Headnode
WS2, WS3 and WS5 are available for Mathematica and Gausview

Application Installed in C8-Cluster

gcc-5.4 gcc/gcc-6.2 mpi/openmpi-x86_64 python NAG
Intel Cluster Studio Version 2013 is avialable as default.

Application Installed in C9-Cluster

VASP, Gaussion , Gaussview, Demon , CASINO, Qwalk, siesta-3.2,
Parrallel Stdio XE 2016 is avialable as default

Quantum-espresso-6.4

Installed Path:/opt/apps/quantum-espresso-6.4/

VASP 5.2.11

Installed Path:/opt/apps/vasp.5.2.11/vasp

You must contact Prof. Prasenjit Sen before using VASP.

MPI PATHS:

Intel

Installed Path:/opt/intel/impi/4.1.0.024/bin64
Library Path :/opt/intel/impi/4.1.0.024/lib64
icc : /opt/intel/bin/icc
ifort : /opt/intel/bin/ifort

Openmpi

Installed Path : /opt/openmpi-1.6
Libarary Path : /opt/openmpi-1.6/lib
mpicc : /opt/openmpi-1.6/bin/mpicc
mpicxx : /opt/openmpi-1.6/bin/mpicxx
mpif77 : /opt/openmpi-1.6/bin/mpif77
mpif90 : /opt/openmpi-1.6/bin/mpif90

Crystal on c9-cluster

Installed Path : source /export/CRYSTAL/crystal

Application Installed in C10-Cluster

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

Application Installed in C11-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 5.3

Installed Path:/opt/apps/vasp/vasp.5.3/vasp

You must contact Prof. Prasenjit Sen before using VASP.

VASP 5.4.1

Installed Path : /c11scratch/vasp5.4.1/build/std/vasp
Installed Path : /c11scratch/vasp5.4.1/build/gam/vasp
Installed Path : /c11scratch/vasp5.4.1/build/ncl/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

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

Installed Path For 64-bit : source /opt/parallel_studio_xe_2018/start.sh
Installed Path For 32-bit : source /opt/parallel_studio_xe_2018/start.sh ia32

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

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

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

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.

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.

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

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

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

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

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

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.

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}

HRI-HPC SOFTWARE

Installed Applications in Respective Cluster

Application Installed in C6-Cluster and Workstation

Application Installed in C8-Cluster

Application Installed in C9-Cluster

Quantum-espresso-6.4

VASP 5.2.11

MPI PATHS:

Openmpi

Crystal on c9-cluster

Application Installed in C10-Cluster

Application Installed in C11-Cluster

VASP 5.3

VASP 5.4.1

Intel Parrallel Studio 2016:

Intel Parrallel Studio 2017:

Intel Parrallel Studio 2018:

Crystal on c11-cluster:

Genie on c11-cluster:

Openmpi on c11-cluster:

Application Installed in C12-Cluster:

VASP 5.2

vasp-gamma and vasp-noncollinear on c12-cluster

Intel Parrallel Studio 2016:

Intel Parrallel Studio 2017:

Intel Parrallel Studio 2018:

Openmpi on c12-cluster

GLoBES 3.1.11

Application Installed in C13-Cluster

Installed Applications in c13-cluster

हमारे साथ जुड़ें

संपर्क

उपयोगी जानकारी

संसाधन