Skip to main content

User account menu

  • DAE
  • Mail
  • IMS
  • Log in
  • T
  • T
-A A +A
Home
ଜାତୀୟ ବିଜ୍ଞାନ ଶିକ୍ଷା ଏବଂ ଗବେଷଣା ପ୍ରତିଷ୍ଠାନ
राष्ट्रीय विज्ञान शिक्षा एवं अनुसंधान संस्थान
National Institute of Science Education and Research
ପରମାଣୁ ଶକ୍ତି ବିଭାଗ, ଭାରତ ସରକାରଙ୍କ ଏକ ସ୍ବୟଂଶାସିତ ପ୍ରତିଷ୍ଠାନ
परमाणु ऊर्जा विभाग, भारत सरकार का एक स्वयंशासित संस्थान
An Autonomous Institute under DAE, Government of India

NISER

  • Home
  • About
    • About Institute
    • Director
    • Reaching NISER
    • VIBES newsletter
    • Annual Reports
    • Bye-Laws
    • Contact
    • About Logo
    • Disclaimer
  • Schools
    • Biological Sciences
    • Chemical Sciences
    • Computer Sciences
    • Earth & Planetary Sciences
    • Humanities & Social Sciences
    • Mathematical Sciences
    • Physical Sciences
    • Center for Medical and Radiation Physics
  • People
    • Faculty
    • Staff
    • Students
      • Integrated M.Sc.
      • MSc (Med. & Rad. Physics)
      • Integrated M.Sc - Ph.D.
      • Ph.D.
  • Students
    • Student Clubs
      • Robotics
      • Software Development
    • Alumni
      • Integrated M.Sc.
      • Integrated M.Sc - Ph.D.
      • Ph.D.
      • Alumni Form
    • Anti Ragging Cell
    • Counselling Cell
  • Administration
    • Board of Governors
    • Deans & FIC
    • Registrar
    • Faculty Affairs
    • Computer Centre
    • Institute Works Department
    • Internal Complaints Committee
    • Grievance Redressal Cell
  • Academic
    • Admission
    • Education at NISER
    • Academic Council
    • UGCI
    • PGCI
    • HBNI
  • Research
    • R&D Section
    • Facilities
      • High-Performance Computing
      • Central Workshop
    • International Programs
  • Facilities
    • Central Library
    • Auditorium
    • Health Centre
    • Hostels
    • Transportation
    • Centre for Interdisciplinary Sciences
    • Community Centre
    • Meditation Centre
    • Shopping Complex
  • Career
    • Faculty Positions
    • Vacancies
      • Regular
      • Temporary

Breadcrumb

  1. Home
  2. HPC home
  3. Hartree Applications

Computing Facility

  • Kalinga cluster
    • Applications Installed
    • Scheduler
    • Submitting Jobs
    • Publications
    • User Manual
  • Hartree cluster
    • Applications Installed
    • Scheduler
    • Submitting Jobs
    • Publications
    • User Manual
  • Do's and don'ts for HPC usage

Hartree Applications

List of Applications installed in HPC

  • codes/gcc/dalton/2016                                 
  • codes/gcc/ompi/3.0.0/globalarray/5.6                  
  • codes/gcc/ompi/64bitint/3.0.0/dalton/2016             
  • codes/gcc/ompi/64bitint/3.0.0/globalarray/5.6         
  • codes/gcc/openmolcas                                  
  • codes/gcc/packmol/2018_002                            
  • codes/gcc/sapt/2016                                   
  • codes/gcc/tinker/6.2.03                               
  • codes/intel/amber/16                                  
  • codes/intel/columbus/7.0                              
  • codes/intel/cp2k/all/5.1                              
  • codes/intel/cpmd/parallel/3.15.1                      
  • codes/intel/dalton/parallel/2016                      
  • codes/intel/dalton/serial/2016                        
  • codes/intel/espresso/5.4.0                            
  • codes/intel/ga-5.7                                    
  • codes/intel/gromacs/parallel/double/5.1.4             
  • codes/intel/gromacs/parallel/gromacs-2020.1           
  • codes/intel/gromacs/parallel/gromacs-2020.2           
  • codes/intel/gromacs/parallel/gromacs-2020.2-plumed2.6 
  • codes/intel/gromacs/parallel/single/5.1.4             
  • codes/intel/gromacs/serial/double/5.1.4               
  • codes/intel/gromacs/serial/single/5.1.4               
  • codes/intel/gromacs-2019.6                            
  • codes/intel/lammps/lammps-11Aug17                     
  • codes/intel/namd/namd_2.12                            
  • codes/intel/namd/namd_2.14
  • codes/intel/newton-x/2-b18
  • codes/intel/nwchem/parallel/double/6.6
  • codes/intel/nwchem/parallel/single/6.6
  • codes/intel/plumd-2.6
  • codes/intel/quantumespresso/6.2
  • codes/intel/vasp/parallel/5.4.4

Availability of different compilers on HPC
Different compilers are available on HPC as modules.
Here is the list of some of them.

GNU Compilers for Serial Code

  1. compilers/gcc/10.1.0
  2. compilers/gcc/11.2.0
  3. compilers/gcc/5.1.0

Compilers for Parallel Code (OpenMPI)

  • compilers/mpi/gcc/openmpi/1.6.5
  • compilers/mpi/gcc/openmpi/2.0.4-32bit
  • compilers/mpi/gcc/openmpi/3.0.0
  • compilers/mpi/gcc/openmpi/3.1.6-32bit
  • compilers/mpi/gcc/openmpi/64bitint/3.0.0
  • compilers/mpi/intel/openmpi/1.6.5
  • compilers/mpi/intel/openmpi/3.0.0
  • compilers/mpi/intel/openmpi/4.1.2

Intel Compilers

  1. compilers/intel/18.0.1.163
  2. compilers/intel/mpi/18.0.1.163
  3. compilers/intel/parallel_studio/parallel_studio_xe_2018_update1_cluster_edition
  4. compilers/intel/parallel_studio/parallel_studio_xe_2020_update4_cluster_edition

Scientific Libraries

  1. libs/hdf5/1.10.1
  2. compilers/intel/mkl/18.0.1.163

Utilities

  1. pdsh
  2. util/cmake/3.18.0
  3. util/python/Anaconda-2018/python-3.7

Other links

  • Contacts
  • Map
  • Address
  • Phone Book
  • Download Adobe Reader (PDF Viewer)
  • Download Screenreader
  • Photo Gallery
  • Photo Credits (Carousel)

 

Amrit Mahotsav

Quick links

  • Intranet
  • Tender Notices & Results
  • Procurement Plan of Major Equipments
  • Holidays
  • Newsletter
  • Annual Reports
  • Center for Fundamental Studies
  • Indian Research Information Network System - IRINS

 

G20: One Earth · One Family · One Future

Miscellaneous

  • RTI
  • SC-ST-OBC Cell
  • PWD Grievance Redressal Cell
  • Structure of Disciplinary Action (Hostel)
  • Disciplinary Action Comm. for Students
  • Hostel Rules
  • 24/7 Emergency Contacts

 

Digital India
© 2023 National Institute of Science Education and Research Bhubaneswar, All Rights Reserved. | | | |

SSL