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All inputs files are taken from public tutorials. See https://github.com/SciGaP/XSEDE-Job-Scripts/ for sources.

WRF

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

Inputs

Outputs

AMBER

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...

Amber.oJobID (nothing interesting)

GROMACS

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...

pdb1y6l-EM-vacuum.gro

GROMACS.oJobID

LAMMPS

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...

log.lammps

LAMMPS.oJobID

ESPRESSO

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...

Al_exc3.wfc4 ESPRESSO.oJobID (nothing)

NWCHEM

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...

h2o_freq.zmat NWCHEM.oJobID

Trinity

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...

both.fa                         jellyfish.kmers.fa
both.fa.read_count              scaffolding_entries.sam
bowtie.nameSorted.sam           target.1.ebwt
bowtie.nameSorted.sam.finished  target.2.ebwt
bowtie.out.finished             target.3.ebwt
chrysalis                       target.4.ebwt
inchworm.K25.L25.fa             target.fa
inchworm.K25.L25.fa.finished    target.fa.finished
inchworm.kmer_count             target.rev.1.ebwt
iworm_bundle_file_listing.txt   target.rev.2.ebwt
iworm_scaffolds.txt             Trinity.fasta
iworm_scaffolds.txt.finished    Trinity.timing
jellyfish.1.finished

Autodock

Parameters

• Walltime: 00:30:00 (30 minutes)
• Number of nodes: 1
• Number of processors/cores: 4

...