GitHub - HPCKP/SubmitScripts: Submit Scripts for most popular applications in Theorical and Computational Chemistry

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Submit Scripts for most popular applications in Theorical and Computational Chemistry

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Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
README		README
SIESTA.mpi		SIESTA.mpi
adf-mpi.sub		adf-mpi.sub
adf.mpi		adf.mpi
amber-11-ompi-iqtc04.sub		amber-11-ompi-iqtc04.sub
amber10-mpi.sub		amber10-mpi.sub
crystal-09-mpi-iqtc01.sub		crystal-09-mpi-iqtc01.sub
crystal-09-mpi-iqtc02.sub		crystal-09-mpi-iqtc02.sub
crystal-09-mpi-iqtc03.sub		crystal-09-mpi-iqtc03.sub
crystal-09-mpi-iqtc04.sub		crystal-09-mpi-iqtc04.sub
gamess-2010r2-ompi-iqtc01.sub		gamess-2010r2-ompi-iqtc01.sub
gamess-2010r2-ompi-iqtc02.sub		gamess-2010r2-ompi-iqtc02.sub
gamess-2010r2-ompi-iqtc03.sub		gamess-2010r2-ompi-iqtc03.sub
gamess-2010r2-ompi-iqtc04.sub		gamess-2010r2-ompi-iqtc04.sub
gamess-2010r2-smp-iqtc01.sub		gamess-2010r2-smp-iqtc01.sub
gamess-2010r2-smp-iqtc02.sub		gamess-2010r2-smp-iqtc02.sub
gamess-2010r2-smp-iqtc03.sub		gamess-2010r2-smp-iqtc03.sub
gamess-2010r2-smp-iqtc04.sub		gamess-2010r2-smp-iqtc04.sub
gamess-smp.sub		gamess-smp.sub
gamess_uk-7.0-ompi-iqtc01.sub		gamess_uk-7.0-ompi-iqtc01.sub
gamess_uk-7.0-ompi-iqtc02.sub		gamess_uk-7.0-ompi-iqtc02.sub
gamess_uk-7.0-ompi-iqtc03.sub		gamess_uk-7.0-ompi-iqtc03.sub
gamess_uk-7.0-ompi-iqtc04.sub		gamess_uk-7.0-ompi-iqtc04.sub
gamess_uk-7.0-smp-iqtc01.sub		gamess_uk-7.0-smp-iqtc01.sub
gamess_uk-7.0-smp-iqtc02.sub		gamess_uk-7.0-smp-iqtc02.sub
gamess_uk-7.0-smp-iqtc03.sub		gamess_uk-7.0-smp-iqtc03.sub
gamess_uk-7.0-smp-iqtc04.sub		gamess_uk-7.0-smp-iqtc04.sub
gaussian-03-linda-iqtc01.sub		gaussian-03-linda-iqtc01.sub
gaussian-03-smp-iqtc01.sub		gaussian-03-smp-iqtc01.sub
gaussian-03-smp-iqtc02.sub		gaussian-03-smp-iqtc02.sub
gaussian-03-smp-iqtc03.sub		gaussian-03-smp-iqtc03.sub
gaussian-03-smp-iqtc04.sub		gaussian-03-smp-iqtc04.sub
gaussian-09-linda-iqtc01.sub		gaussian-09-linda-iqtc01.sub
gaussian-09-linda-iqtc02.sub		gaussian-09-linda-iqtc02.sub
gaussian-09-linda-iqtc03.sub		gaussian-09-linda-iqtc03.sub
gaussian-09-linda-iqtc04.sub		gaussian-09-linda-iqtc04.sub
gaussian-09-smp-iqtc01.sub		gaussian-09-smp-iqtc01.sub
gaussian-09-smp-iqtc02.sub		gaussian-09-smp-iqtc02.sub
gaussian-09-smp-iqtc03.sub		gaussian-09-smp-iqtc03.sub
gaussian-09-smp-iqtc04.sub		gaussian-09-smp-iqtc04.sub
gaussian-linda.sub		gaussian-linda.sub
gaussian-serial.sub		gaussian-serial.sub
gaussian-smp.sub		gaussian-smp.sub
gromacs-3.3.1-ompi-iqtc04.sub		gromacs-3.3.1-ompi-iqtc04.sub
gromacs-mpi.sub		gromacs-mpi.sub
gromacs-ompi-iqtc02.sub		gromacs-ompi-iqtc02.sub
gromacs-ompi-iqtc04.sub		gromacs-ompi-iqtc04.sub
lammps-mpi.sub		lammps-mpi.sub
molcas.sub		molcas.sub
molcas_7.4-ompi-iqtc04.sub		molcas_7.4-ompi-iqtc04.sub
molcas_7.4-serial-iqtc01.sub		molcas_7.4-serial-iqtc01.sub
molcas_7.4-serial-iqtc02.sub		molcas_7.4-serial-iqtc02.sub
molcas_7.4-serial-iqtc03.sub		molcas_7.4-serial-iqtc03.sub
molcas_7.4-serial-iqtc04.sub		molcas_7.4-serial-iqtc04.sub
nwchem-ompi-iqtc04.sub		nwchem-ompi-iqtc04.sub
orca-ompi-iqtc04.sub		orca-ompi-iqtc04.sub
orca_ompi_scratch.sub		orca_ompi_scratch.sub
orca_ompi_work.sub		orca_ompi_work.sub
siesta-3.0-ompi-iqtc02.sub		siesta-3.0-ompi-iqtc02.sub
siesta-3.0-ompi-iqtc02_tcsh.sub		siesta-3.0-ompi-iqtc02_tcsh.sub
siesta-3.0-ompi-iqtc04.sub		siesta-3.0-ompi-iqtc04.sub
siesta-mpi.sub		siesta-mpi.sub
stress_x86-64.sub		stress_x86-64.sub
stress_x86.sub		stress_x86.sub
vasp-4.6-ompi-iqtc01.sub		vasp-4.6-ompi-iqtc01.sub
vasp-4.6-ompi-iqtc02.sub		vasp-4.6-ompi-iqtc02.sub
vasp-4.6-ompi-iqtc03.sub		vasp-4.6-ompi-iqtc03.sub
vasp-4.6-ompi-iqtc04.sub		vasp-4.6-ompi-iqtc04.sub
vasp-5.2-ompi-iqtc01.sub		vasp-5.2-ompi-iqtc01.sub
vasp-5.2-ompi-iqtc02.sub		vasp-5.2-ompi-iqtc02.sub
vasp-5.2-ompi-iqtc03.sub		vasp-5.2-ompi-iqtc03.sub
vasp-5.2-ompi-iqtc04.sub		vasp-5.2-ompi-iqtc04.sub
vasp-mpi.sub		vasp-mpi.sub

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====================================================================
           High Performance Computing Knowledge Portal 
====================================================================
This GIT Project contains a collection of usefull Submit Scripts
for most popular applications in Theorical and Computational 
Chemistry.
 
Please, send us feedback and suggestions.

Thanks!

====================================================================
You can find more information about HPCKP on http://www.hpckp.org
Who we are : http://www.hpckp.org/index.php/about-us/about-portal
Dev. Team  : http://www.hpckp.org/index.php/about-us/hpc-team
====================================================================