AQUARIUS (Advanced QUAntum moleculaR Iterative eqUation Solver) is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. AQUARIUS is primarily focused on iterative methods such as CC, CI, and EOMCC.
Shine some light on whether your suprtcomputer is working
A mini-app that captures the communication pattern of NWChem---block-sparse matrix multiplication---in flat MPI and hybrid MPI+OpenMP configurations.
A parallel runtime library for Fortran 2018 compilers
A simple example of MPI RMA to run on Cori
The Thing That Should Not Be
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This repository contains remote memory spaces, which implement shared memory semantics across multiple processes.
T-cell motility simulator
MiniMD Molecular Dynamics Mini-App
Official MPICH Repository
RAJA Performance Suite
MPI Wrapper Generator