{"id":11533,"date":"2024-07-17T05:40:01","date_gmt":"2024-07-17T05:40:01","guid":{"rendered":"https:\/\/hri.bigzero.co.in\/?page_id=11533"},"modified":"2024-10-29T13:28:08","modified_gmt":"2024-10-29T13:28:08","slug":"hri-hpc-software","status":"publish","type":"page","link":"https:\/\/hri.bigzero.co.in\/hi\/hri-hpc-software\/","title":{"rendered":"HRI-HPC software"},"content":{"rendered":"
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HRI-HPC SOFTWARE<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Installed Applications in Respective Cluster<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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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.<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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Application Installed in C6-Cluster and Workstation<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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  • C5pc00 is available for Grid Mathematica<\/li>
  • C6-Cluster is available for Mathematica<\/li>
  • Matlab is available on All running cluster Headnode<\/li>
  • WS2, WS3 and WS5 are available for Mathematica and Gausview<\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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    Application Installed in C8-Cluster<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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    • gcc-5.4 gcc\/gcc-6.2 mpi\/openmpi-x86_64 python NAG<\/li>
    • Intel Cluster Studio Version 2013 is avialable as default.<\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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      Application Installed in C9-Cluster<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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      • VASP, Gaussion , Gaussview, Demon , CASINO, Qwalk, siesta-3.2,<\/li>
      • Parrallel Stdio XE 2016 is avialable as default<\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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        Quantum-espresso-6.4<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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        • Installed Path:\/opt\/apps\/quantum-espresso-6.4\/<\/code><\/span><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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          VASP 5.2.11<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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          • Installed Path:\/opt\/apps\/vasp.5.2.11\/vasp<\/code><\/span><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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            • You must contact Prof. Prasenjit Sen before using VASP.<\/b><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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              MPI PATHS:<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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              Intel<\/strong><\/span><\/p>

              • Installed Path:\/opt\/intel\/impi\/4.1.0.024\/bin64<\/code><\/span><\/li>
              • Library Path :\/opt\/intel\/impi\/4.1.0.024\/lib64<\/code><\/span><\/li>
              • icc :\u00a0\/opt\/intel\/bin\/icc<\/span><\/code><\/li>
              • ifort :\u00a0\/opt\/intel\/bin\/ifort<\/span><\/code><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                Openmpi<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                • Installed Path :\u00a0\/opt\/openmpi-1.6<\/span><\/code><\/li>
                • Libarary Path :\u00a0\/opt\/openmpi-1.6\/lib<\/span><\/code><\/li>
                • mpicc :\u00a0\/opt\/openmpi-1.6\/bin\/mpicc<\/span><\/code><\/li>
                • mpicxx :\u00a0\/opt\/openmpi-1.6\/bin\/mpicxx<\/span><\/code><\/li>
                • mpif77 :\u00a0\/opt\/openmpi-1.6\/bin\/mpif77<\/code><\/span><\/li>
                • mpif90 :\u00a0\/opt\/openmpi-1.6\/bin\/mpif90<\/span><\/code><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                  Crystal on c9-cluster<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                  • Installed Path :\u00a0source \/export\/CRYSTAL\/crystal<\/span><\/code><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                    Application Installed in C10-Cluster<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                    • VASP, Gaussion , Gaussview, Demon , CASINO, Qwalk, siesta-3.2,<\/li>
                    • Parrallel Stdio XE 2016 and Parrallel Stdio XE 2017 installed & configured<\/li>
                    • Intel Cluster Studio Version 2013 is avialable as default.<\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                      Application Installed in C11-Cluster<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                      • VASP, Gaussion , Gaussview, Demon , CASINO, Qwalk, siesta-3.2,<\/li>
                      • Parrallel Stdio XE 2016 and Parrallel Stdio XE 2017, 2018 installed & configured<\/li>
                      • Intel Cluster Studio Version 2013 is avialable as default.<\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                        VASP 5.3<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                        • Installed Path:\/opt\/apps\/vasp\/vasp.5.3\/vasp<\/code><\/span><\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                          • You must contact Prof. Prasenjit Sen before using VASP.<\/b><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                            VASP 5.4.1<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                            • Installed Path :\u00a0\/c11scratch\/vasp5.4.1\/build\/std\/vasp<\/span><\/code><\/li>
                            • Installed Path :\u00a0\/c11scratch\/vasp5.4.1\/build\/gam\/vasp<\/span><\/code><\/li>
                            • Installed Path :\u00a0\/c11scratch\/vasp5.4.1\/build\/ncl\/vasp<\/span><\/code><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                              Intel Parrallel Studio 2016:<\/h2>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                              • Installed Path For 64-bit :\u00a0source<\/span> \/opt\/parallel_studio_xe_2016\/start.sh intel64<\/span><\/code><\/li>
                              • <\/code>Installed Path For 32-bit :\u00a0source<\/span> \/opt\/parallel_studio_xe_2016\/start.sh ia32<\/span><\/code><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                                Intel Parrallel Studio 2017:<\/span><\/h5>
                                • Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh intel64<\/span><\/code><\/li>
                                • <\/code>Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh ia32<\/span><\/code><\/li><\/ul>
                                  Intel Parrallel Studio 2018:<\/span><\/h5>
                                  • Installed Path For 64-bit : source \/opt\/parallel_studio_xe_2018\/start.sh<\/span><\/code><\/li>
                                  • <\/code>Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2018\/start.sh ia32<\/span><\/code><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                                    Crystal on c11-cluster:<\/span><\/h5>
                                    • Installed Path :\u00a0source \/opt\/CRYSTAL2003\/utils03\/cry2k3.bashrc<\/span><\/code><\/li><\/ul>
                                      Genie on c11-cluster:<\/span><\/h5>
                                      • Installed Path :\u00a0source \/opt\/apps\/GENIE\/genie_load<\/span><\/code><\/li><\/ul>
                                        Openmpi on c11-cluster:<\/span><\/h5>
                                        • That can be accessed\/loaded by<\/li>
                                        • :\u00a0module load openmpi-2.0<\/span><\/code><\/li><\/ul>
                                          Application Installed in C12-Cluster:<\/span><\/h5>
                                          • VASP, Gaussion , Gaussview, Demon , CASINO, Qwalk, siesta-3.2,<\/li>
                                          • Parrallel Stdio XE 2016 and Parrallel Stdio XE 2017, 2018 installed & configured<\/li>
                                          • Intel Cluster Studio Version 2013 is avialable as default.<\/li><\/ul>
                                            VASP 5.2<\/span><\/h5>
                                            • Installed Path:<\/span>\/opt\/apps\/vasp\/vasp.5.2\/vasp<\/code><\/span><\/li>
                                            • You must contact Prof. Prasenjit Sen before using VASP.<\/b><\/li><\/ul>
                                              vasp-gamma and vasp-noncollinear on c12-cluster<\/span><\/h5>
                                              • Installed Path:\/c12scratch\/vasp-test\/vasp.5.3\/vasp-noncollinear<\/code><\/span><\/li>
                                              • <\/code><\/span>Installed Path:\/c12scratch\/vasp-test\/vasp.5.3\/vasp-gamma<\/code><\/span><\/li><\/ul>
                                                • You must contact Prof. Prasenjit Sen before using VASP.<\/b><\/li><\/ul>

                                                  VASP 5.4.1<\/span><\/p>

                                                  • Installed Path :\u00a0\/c12scratch\/vasp5.4.1\/build\/std\/vasp<\/span><\/code><\/li>
                                                  • Installed Path :\u00a0\/c12scratch\/vasp5.4.1\/build\/gam\/vasp<\/span><\/code><\/li>
                                                  • Installed Path :\u00a0\/c12scratch\/vasp5.4.1\/build\/ncl\/vasp<\/span><\/code><\/li>
                                                  • You must contact Prof. Prasenjit Sen before using VASP.<\/b><\/li><\/ul>
                                                    Intel Parrallel Studio 2016:<\/span><\/h5>
                                                    • Installed Path For 64-bit : source \/opt\/parallel_studio_xe_2016\/start.sh intel64<\/code><\/span><\/li>
                                                    • <\/code><\/span>Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2016\/start.sh ia32<\/span><\/code><\/li><\/ul>
                                                      Intel Parrallel Studio 2017:<\/span><\/h5>
                                                      • Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh intel64<\/span><\/code><\/li>
                                                      • <\/code>Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh ia32<\/span><\/code><\/li><\/ul>
                                                        Intel Parrallel Studio 2018:<\/span><\/h5>
                                                        • Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_2018\/start_2018.sh<\/span><\/code><\/li>
                                                        • <\/code>Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_2018\/start.sh ia32<\/span><\/code><\/li><\/ul>
                                                          Openmpi on c12-cluster<\/span><\/h5>
                                                          • That can be accessed\/loaded by<\/li>
                                                          • :\u00a0module load openmpi-2.0<\/span><\/code><\/li><\/ul>
                                                            GLoBES 3.1.11<\/span><\/h5>
                                                            • Installed Path :\u00a0\/opt\/globes3217\/include\/globes\/globes.h<\/span><\/code><\/li><\/ul>
                                                              Application Installed in C13-Cluster<\/span><\/h5>
                                                              • 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<\/li>
                                                              • Parrallel Stdio XE 2016 and Parrallel Stdio XE 2017, 2018 installed & configured<\/li>
                                                              • Intel Cluster Studio Version 2013 is avialable as default.<\/li><\/ul>
                                                                Installed Applications in c13-cluster<\/span><\/h5>
                                                                • module avail : This command can be used to see availbale packages<\/li>
                                                                • 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<\/li><\/ul>

                                                                  Available packages can be accessed\/loaded by module command<\/p>

                                                                  • You must contact Prof. Prasenjit Sen before using VASP.<\/b><\/li>

                                                                  • :\u00a0module load {PACKAGE-NAME}<\/code><\/span><\/p><\/li><\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t

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                                                                    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 :\u00a0\/opt\/intel\/bin\/icc ifort :\u00a0\/opt\/intel\/bin\/ifort Openmpi Installed Path :\u00a0\/opt\/openmpi-1.6 Libarary Path :\u00a0\/opt\/openmpi-1.6\/lib mpicc :\u00a0\/opt\/openmpi-1.6\/bin\/mpicc mpicxx :\u00a0\/opt\/openmpi-1.6\/bin\/mpicxx mpif77 :\u00a0\/opt\/openmpi-1.6\/bin\/mpif77 mpif90 :\u00a0\/opt\/openmpi-1.6\/bin\/mpif90 Crystal on c9-cluster Installed Path :\u00a0source \/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 :\u00a0\/c11scratch\/vasp5.4.1\/build\/std\/vasp Installed Path :\u00a0\/c11scratch\/vasp5.4.1\/build\/gam\/vasp Installed Path :\u00a0\/c11scratch\/vasp5.4.1\/build\/ncl\/vasp Intel Parrallel Studio 2016: Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_xe_2016\/start.sh intel64 Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2016\/start.sh ia32 Intel Parrallel Studio 2017: Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh intel64 Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh ia32 Intel Parrallel Studio 2018: Installed Path For 64-bit : source \/opt\/parallel_studio_xe_2018\/start.sh Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2018\/start.sh ia32 Crystal on c11-cluster: Installed Path :\u00a0source \/opt\/CRYSTAL2003\/utils03\/cry2k3.bashrc Genie on c11-cluster: Installed Path :\u00a0source \/opt\/apps\/GENIE\/genie_load Openmpi on c11-cluster: That can be accessed\/loaded by :\u00a0module 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 :\u00a0\/c12scratch\/vasp5.4.1\/build\/std\/vasp Installed Path :\u00a0\/c12scratch\/vasp5.4.1\/build\/gam\/vasp Installed Path :\u00a0\/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 :\u00a0source \/opt\/parallel_studio_xe_2016\/start.sh ia32 Intel Parrallel Studio 2017: Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh intel64 Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_xe_2017\/start.sh ia32 Intel Parrallel Studio 2018: Installed Path For 64-bit :\u00a0source \/opt\/parallel_studio_2018\/start_2018.sh Installed Path For 32-bit :\u00a0source \/opt\/parallel_studio_2018\/start.sh ia32 Openmpi on c12-cluster That can be accessed\/loaded by :\u00a0module load openmpi-2.0 GLoBES 3.1.11 Installed Path :\u00a0\/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. :\u00a0module load {PACKAGE-NAME}<\/p>","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"elementor_header_footer","meta":{"_acf_changed":false,"_lmt_disableupdate":"","_lmt_disable":"","footnotes":""},"class_list":["post-11533","page","type-page","status-publish","hentry"],"acf":[],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/pages\/11533","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/comments?post=11533"}],"version-history":[{"count":91,"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/pages\/11533\/revisions"}],"predecessor-version":[{"id":19728,"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/pages\/11533\/revisions\/19728"}],"wp:attachment":[{"href":"https:\/\/hri.bigzero.co.in\/hi\/wp-json\/wp\/v2\/media?parent=11533"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}