GROMACS
    
        
          Oct 16, 2024
        
      
      Maximizing Energy and Power Efficiency in Applications with NVIDIA GPUs
          As the demand for high-performance computing (HPC) and AI applications grows, so does the importance of energy efficiency. NVIDIA Principal Developer Technology...
        
      
        2 MIN READ
      
      
    
    
        
          Apr 14, 2023
        
      
      A Guide to CUDA Graphs in GROMACS 2023
          GPUs continue to get faster with each new generation, and it is often the case that each activity on the GPU (such as a kernel or memory copy) completes very...
        
      
        13 MIN READ
      
      
    
    
        
          Feb 09, 2023
        
      
      Massively Improved Multi-node NVIDIA GPU Scalability with GROMACS
          GROMACS, a scientific software package widely used for simulating biomolecular systems, plays a crucial role in comprehending important biological processes...
        
      
        8 MIN READ
      
      
    
    
        
          Oct 08, 2021
        
      
      Maximizing GROMACS Throughput with Multiple Simulations per GPU Using MPS and MIG
          GROMACS, a simulation package for biomolecular systems, is one of the most highly used scientific software applications worldwide, and a key tool in...
        
      
        19 MIN READ
      
      
    
    
        
          Feb 25, 2020
        
      
      Creating Faster Molecular Dynamics Simulations with GROMACS 2020
          GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020. The new version includes exciting new...
        
      
        13 MIN READ