Issues

• Module Structure Difference

  bio-phys/MDBenchmark#203 · Filter by author Philip-Mundt opened on May 18, 2026

• ImportError with markupsafe v3.0.2

  bio-phys/MDBenchmark#202 · Filter by author balazsfabian opened on Jun 13, 2025

• **Proposed layout for 'multidir' scaling plots**

  bio-phys/MDBenchmark#180 · Filter by author jkoefinger opened on Dec 1, 2022

• For GPU nodes, include scaling within a single node across GPUs

  bio-phys/MDBenchmark#179 · Filter by author jkoefinger opened on Nov 30, 2022
  2

• Conflict with collections.py module

  bio-phys/MDBenchmark#173 · Filter by author almeida85 opened on Aug 6, 2021

• Save (and parse) log files to extract detailed performance information from GROMACS

  enhancement
  bio-phys/MDBenchmark#112 · Filter by author MSiggel opened on Oct 20, 2018
  2

• Add simple implementation for LAMMPS and AMBER as md engines

  bio-phys/MDBenchmark#111 · Filter by author MSiggel opened on Oct 20, 2018
  

• Analyze summary output should distinquish between failed, not started and other error

  enhancement
  bio-phys/MDBenchmark#98 · Filter by author kain88-de opened on Sep 27, 2018
  1

• Define MD engine run command in Python

  bio-phys/MDBenchmark#92 · Filter by author mimischi opened on Sep 25, 2018

• Export submit file after analyze

  enhancement
  bio-phys/MDBenchmark#59 · Filter by author mimischi opened on Apr 9, 2018

• Automated System Archiving

  bio-phys/MDBenchmark#43 · Filter by author MSiggel opened on Feb 20, 2018
  

• check if GPU was used if job requested a GPU

  bio-phys/MDBenchmark#28 · Filter by author kain88-de opened on Jan 31, 2018
  1