2.0 KiB
2.0 KiB
| 1 | Name | Keyword |
|---|---|---|
| 2 | AMS | ams_pipeline |
| 3 | QuantumESPRESSO | pw.x; pp.x; cp.x; neb.x; load qe |
| 4 | GOLD | GOLDHPC_DIR; GOLDIMAGE; GOLD_PATH; GOLD_PATH; CCDC_LICENSING_CONFIGURATION; GOLD_LOG_LEVEL |
| 5 | MATLAB | matlab; -nodisplay; -nosplash |
| 6 | VASP | vasp_std; $VASP; vasp.out; vasp.err; .vasp; vasp_gam; vasp_ncl; load vasp6 |
| 7 | CP2K | cp2k.psmp; load cp2k; cp2k.popt |
| 8 | Chroma | chroma |
| 9 | ORCA | ${ORCABASE}; load orca; .gbw |
| 10 | BigDFT | bigdft |
| 11 | LAMMPS | lmp -in; lmp_oneapi; --error=lammps; load lammps; lammps_ |
| 12 | AlphaFold3 | alphafold3; af3; run_alphafold.py; af_input |
| 13 | STAR-CCM+ | CCMARGS; add star-ccm+; starccm+ |
| 14 | Nek5000 | nek5000; Nek5000 |
| 15 | TurTLE | TurTLE; python refine.py; NSVE |
| 16 | AMBER | load amber; pmemd.; add amber; complex=AB; MMPBSA.py.MPI; sander; tleap |
| 17 | ALF | ALF.out; max_sac; ALF_MPI |
| 18 | Caracal | calc_rate.x; caracal |
| 19 | Capriccio | Capriccio |
| 20 | Arepo | Arepo |
| 21 | WRF | WRFIO_; WRF_; wrf.input; activate wrf; wrf.exe; log.wrf |
| 22 | Whisper | whisper |
| 23 | deal.II | dealii |
| 24 | AIMS | aims. |
| 25 | FLAME | FLAME; /src/flame; /app/flame |
| 26 | PyRAI2MD-hiam | pyrai2md |
| 27 | OpenQP | openqp |
| 28 | OpenFOAM | Foam; -parallel; -fileHandler; load openfoam |
| 29 | w2dynamics | DMFT.py; cthyb |
| 30 | HPL | HPL; xhpl |
| 31 | HPCG | HPCG; xhpcg |
| 32 | fMRIPrep | fmriprep |
| 33 | TURBOMOLE | charmm; load turbomole; ridft |
| 34 | CPMD | cpmd.x; cpmd-; .cpmd |
| 35 | NAMD | load namd; namd2; namd3 |
| 36 | Ansys CFX | cfx5solve |
| 37 | Ansys Fluent | fluent |
| 38 | Ansys Mechanical | ansys2 |
| 39 | Gaussian | GAUSSIAN.; g16; g09 |
| 40 | NWChem | nwchem; nwchem_input; nwchem.nw |
| 41 | GAMESS | gamess; rungms |
| 42 | YAMBO | yambo |
| 43 | GROMACS | gmx; mdrun; grompp; pdb2gmx; gmx_mpi; trjconv; g_energy |
| 44 | StreaMD | run_gbsa; _streamd |
| 45 | Code_Saturne | /bin/code_saturne |
| 46 | Walberla | walberla |
| 47 | HyTeG | hyteg; /apps/adaptiveRefinement; apps/nlDiffusion |
| 48 | MDBench | MDBench |
| 49 | ParConnect | parconnect |
| 50 | BTDFT | BTDFT.bin; BTDFT.mpifs |
| 51 | ARM DDT | /apps/ddt; forge-mpirun; --ddt |
| 52 | FeatFloWer | FeatFlower; Feat_FloWer |
| 53 | CRYSTAL | CRYSTAL; crystaljob; crystal23; runcrys_batch; CRYSTAL_SCRDIR; CRYSTAL_BIN |
| 54 | IGM | activate igm; rgi_id; RGI2000 |
| 55 | PETSc | PETSC_DIR; PETSC_ARCH; petscspace |
| 56 | Teko | tekoprec; Teko |
| 57 | PARDISO | PARDISO; _pardiso |
| 58 | EvoStencils | evostencils |
| 59 | LigandScout | idbgen; iscreen |
| 60 | CA3D | CA3D |
| 61 | FD3D | FD3D |
| 62 | SCALEXA | scalexa |
| 63 | STREAM | stream; triad |