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राष्ट्रीय विज्ञान शिक्षा एवंअनुसंधान संस्थान
National Institute of Science Education and Research
परमाणु ऊर्जा विभाग, भारत सरकार का एक स्वयंशासित संस्थान
An Autonomous Institute under DAE, Government of India

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Breadcrumb

  1. Home
  2. HPC home
  3. kalinga Applications

Computing Facility

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

kalinga Applications

List of Applications installed in HPC

  • codes/abinit/8.8.2                       
  • codes/atomate/0.9.4                      
  • codes/BerkeleyGW/1.2.0-newnodes          
  • codes/BerkeleyGW/1.2.0-oldnodes          
  • codes/BerkeleyGW/2.1                     
  • codes/BerkeleyGW/2.1-newnodes            
  • codes/BerkeleyGW/2.1-oldnodes            
  • codes/BerkeleyGW/updated-2.1       
  • codes/dftplus/20.1                       
  • codes/element_spdb                       
  • codes/exciting/nitrogen                  
  • codes/fluer/MAX-R4                       
  • codes/kkr/3.1                            
  • codes/nwchem/6.8                         
  • codes/nwchem/7.0.1                       
  • codes/olam/5.3                           
  • codes/psi4/1.1                           
  • codes/pyscf/1.7.5                        
  • codes/qe/5.4-intel2017u3
  • codes/qe/6.4.1-newnodes                      
  • codes/qe/6.4.1-oldnodes                      
  • codes/qe/6.5                                 
  • codes/qe/6.6                                 
  • codes/qe/6.6-newnodes                        
  • codes/qe/6.6-oldnodes                        
  • codes/sdpb                                   
  • codes/siesta/4.1                             
  • codes/transiesta/4.1                         
  • codes/vasp/5.4.4                             
  • codes/vasp/5.4.4-wannier                     
  • codes/vasp/5.4.4-wannier-new                 
  • codes/wannier90/2.1.0                        
  • codes/westpy/4.2.0                           
  • codes/wps/4.0                                
  • codes/wrf/4.0                                
  • codes/yambo/4.5.2                            
  • codes/yambo/4.5.2-new
  • gpaw-setups/0.9.11271   
  • codes/cmake/3.0.0                        
  • codes/cmake/3.12.4                       
  • codes/cmake/3.17.5

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/7.5.0                          
  2. compilers/gcc/9.2.0

Compilers for Parallel Code (OpenMPI/MPICH/MVAPICH)

  1. compilers/mpich/3.2                          
  2. compilers/mpich/3.3.2                        
  3. compilers/mvapich2/2.2                       
  4. compilers/openmpi/3.1.0                      
  5. compilers/openmpi/4.0.5  
  6. compilers/wrf/mpich/3.3.2 

Intel Compilers

  1. compilers/intel/parallel_studio_xe_2017.3.191
  2. compilers/intel/parallel_studio_xe_2018.3.051
  3. compilers/intel/parallel_studio_xe_2020.4.912

Scientific Libraries

  • libs/boost/1.76.0-gcc-7.5                    
  • libs/boost/boost_1_76_0                      
  • libs/fftw/2.1.5                              
  • libs/fftw/3.3.8                              
  • libs/gmp/6.2.0                               
  • libs/gmp/6.2.1                               
  • libs/gsl/2.6                                 
  • libs/hdf5/1.12.0                             
  • libs/hdf5/1.12.0-mpi                         
  • libs/hdf5/1.8.18                             
  • libs/jasper/1.900.1                          
  • libs/libcint/4.0.3                           
  • libs/libpng/1.2.59                           
  • libs/libxc/2.1.0
  • libs/libxc/5.0.0
  • libs/libxml2/2.7.2
  • libs/libxsmm/1.15
  • libs/ncl-ncarg/6.6.2
  • libs/netcdf/4.3.3.1
  • libs/netcdf-c/4.7.4
  • libs/netcdf-fortran/4.5.3
  • libs/QD
  • libs/rapidjson
  • libs/scalapack/2.1.0
  • libs/szip/2.2.1
  • libs/wrf/hdf5/1.12.0
  • libs/wrf/jasper/1.900.1
  • libs/wrf/netcdf/4.3.3.1
  • libs/wrf/szip/2.2.1
  • libs/wrf/zlib/1.2.11
  • libs/zlib/1.2.11

Utilities

  1. utils/automake/1.16
  2. utils/cuda/11.0
  3. utils/libtools/2.4.6
  4. utils/make/4.3
  5. utils/singularity/3.7.3
  6. compilers/anaconda3/2020.7 

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