6 citations · 10 across the 8 of their papers we have counts for
6 papers · 1 filter
How far does a random forest generalize from a 54-run LAMMPS+SPICA benchmark?
Dennis Alves Pedersen, Paulo Henrique Leme Ramalho, Fábio Andrijauskas
Selecting near-optimal hybrid MPI+OpenMP configurations for molecular dynamics workloads on modern HPC clusters has traditionally required exhaustive empirical benchmarking, consum…
Strategies for Molecular Dynamics using Hybrid Systems: LAMMPS Use Case
Paulo Henrique Leme Ramalho, Dennis Alves Pedersen, Fábio Andrijauskas
The complexity of biomolecular simulations has substantially increased the demand for High-Performance Computing (HPC) infrastructures, particularly in molecular dynamics and coars…
Open Science Data Federation -- operation and monitoring
Fabio Andrijauskas, Derek Weitzel, Frank Wuerthwein
Extensive data processing is becoming commonplace in many fields of science. Distributing data to processing sites and providing methods to share the data with collaborators effici…
Using the Open Science Data Federation for data distribution: Big Bear Solar Observatory use case
Sydney Montiel, Alexsandra Guadarrama, Fabio Andrijauskas
The growing demand for extensive data processing is now a standard in many scientific fields. Efficiently distributing data to processing sites and enabling seamless sharing has be…
CRIU -- Checkpoint Restore in Userspace for computational simulations and scientific applications
Fabio Andrijauskas, Igor Sfiligoi, Diego Davila +5
Creating new materials, discovering new drugs, and simulating systems are essential processes for research and innovation and require substantial computational power. While many ap…
Defining a canonical unit for accounting purposes
Fabio Andrijauskas, Igor Sfiligoi, Frank Würthwein
Compute resource providers often put in place batch compute systems to maximize the utilization of such resources. However, compute nodes in such clusters, both physical and logica…