XSEDE Software Discovery

psc_path Version 1.0

psc_path Version 1.1

Amber is a package of molecular simulation programs.
Service Documentation: http://ambermd.org/doc12/index.html
Vendor Product URL: http://ambermd.org/

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
Service Documentation: https://manual.cp2k.org/

The Abaqus Unified FEA provides analysis for engineering problems such as  dynamic vibration, multibody systems, impact/crash, nonlinear static, thermal coupling, and acoustic-structural coupling using a common model data structure and integrated solver technology
Service Documentation: https://www.3ds.com/support/documentation/users-guides/

PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties.
Service Documentation: http://www.psicode.org/psi4manual/1.1/index.html

Gsussian16 on Comet
Service Documentation: http://gaussian.com/man/
Vendor Product URL: http://gaussian.com/relnotes/
Vendor URL: http://gaussian.com/

ANSYS 20.1
Running on TACC Stampede2 (stampede2.tacc.xsede.org)
To access from a shell use the command:
module load ansys/20.1

Portable Extendible Toolkit for Scientific Computing, Numerical library for sparse linear algebra
Running on TACC Stampede2 (stampede2.tacc.xsede.org)
To access from a shell use the command:
module load petsc/3.11-single

ffmpeg Version "3.1.1"
Running on PSC Bridges (bridges.psc.xsede.org)
To access from a shell use the command:
module load ffmpeg/3.1.1

MPI-3.1 implementation
Running on TACC Stampede2 (stampede2.tacc.xsede.org)
To access from a shell use the command:
module load mvapich2/2.3.4

bbftp Version "3.2.1"
Running on SDSC Comet GPU (comet-gpu.sdsc.xsede.org)
To access from a shell use the command:
module load bbftp/3.2.1

spark Version "1.5.2"
Running on SDSC Comet (comet.sdsc.xsede.org)
To access from a shell use the command:
module load spark/1.5.2

bamtools Version "2.5.1"
Running on PSC Bridges (bridges.psc.xsede.org)
To access from a shell use the command:
module load bamtools/2.5.1

Globus Software Package
Running on TACC Stampede2 (stampede2.tacc.xsede.org)
To access from a shell use the command:
module load globus/6.0

strelka Version "1.0.14"
Running on PSC Bridges (bridges.psc.xsede.org)
To access from a shell use the command:
module load strelka/1.0.14

jags Version "4.2.0"
Running on SDSC Comet GPU (comet-gpu.sdsc.xsede.org)
To access from a shell use the command:
module load jags/4.2.0

gamess Version "2019.06"
Running on SDSC Comet GPU (comet-gpu.sdsc.xsede.org)
To access from a shell use the command:
module load gamess/2019.06

Portable Extendible Toolkit for Scientific Computing, Numerical library for sparse linear algebra
Running on TACC Stampede2 (stampede2.tacc.xsede.org)
To access from a shell use the command:
module load petsc/3.11

BLAST is a search tool that finds regions of local similarity between nucleotide or protein sequences
Running on PSC Bridges (bridges.psc.xsede.org)
To access from a shell use the command:
module load blast/2.7.1

Transcript assembly and quantification for RNA-Seq
Running on PSC Bridges (bridges.psc.xsede.org)
To access from a shell use the command:
module load stringtie/1.3.3

open-source build system
Running on SDSC Comet (comet.sdsc.xsede.org)
To access from a shell use the command:
module load cmake/3.12.1

discovardenovo Version "52488"
Running on PSC Bridges (bridges.psc.xsede.org)
To access from a shell use the command:
module load discovardenovo/52488

Portable Extendible Toolkit for Scientific Computing, Numerical library for sparse linear algebra
Running on TACC Stampede2 (stampede2.tacc.xsede.org)
To access from a shell use the command:
module load petsc/3.8-complexdebug

mpi4py Version "3.0.3"
Running on SDSC Comet (comet.sdsc.xsede.org)
To access from a shell use the command:
module load mpi4py/3.0.3