1. 06 Sep, 2024 1 commit
    • Peter Eastman's avatar
      Optimize updateParametersInContext() (#4610) · 78902bed
      Peter Eastman authored
      * Optimize CustomNonbondedForce.updateParametersInContext()
      
      * Optimized uploading changed values to GPU
      
      * Optimized updateParametersInContext() for lots of bonded forces
      
      * Optimized updateParametersInContext() for CustomExternalForce
      
      * Optimized updateParametersInContext() for NonbondedForce
      
      * Code changes for HIP platform
      78902bed
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    • bdenhollander's avatar
      Fix 4GB memory check (#2909) · 83dcb4e2
      bdenhollander authored
      4*(1<<30) evaluates to 0 so the check returns true on 2GB cards. Test runs fine on 2GB cards but requires over 4GB of system memory.
      83dcb4e2
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