AlphaFold 2.1.2 and 2.2.2 available
AlphaFold 2.1.2 and 2.2.2 with GPU relax feature is available on Pitzer.
AlphaFold 2.1.2 and 2.2.2 with GPU relax feature is available on Pitzer.
Intel 2021.5.0 is available on Pitzer; usage via module load intel/2021.5.0 .
LAMMPS stable version 29Sep2021.3 has been installed on Pitzer with Intel plus MVAPICH2 and GNU plus OpenMPI and on Owens with Intel plus MVAPICH2. These are GPU enabled installations. Usage is via the module lammps/29Sep2021.3. For details on available packages, example batch scripts, and help loading an installation, use the command: "module spider lammps/29Sep2021.3".