The energy result produced by gmx mdrun can't be reproduced by gmx mdrun -rerun.
**Summary** After I ran the program, gmx mdrun -nsteps 0 with GPU, I ran the other program gmx mdrun -rerun md.trr with CPU. I found that the energy results were very different between these two runnings. To find the reason for this difference, I conducted preliminary debugging. The emergence of diff could be due to the implementation of -rerun ignoring certain logic. **GROMACS version** 2025-dev-20240410-d8dd48669d-dirty **Steps to reproduce** By decompressing rerun_diff.tar and running run.sh, there will be two file, potential_md.xvg and potential_rerun.xvg, which include the results about gmx mdrun and gmx mdrun -rerun, respectively. [rerun_diff.tar](/uploads/3e6389ba93ce4e89e83116f61a3643f9/rerun_diff.tar) The possible results are as follow: In potential_md.xvg ![image](/uploads/64f363e808f54856dfd359ee4ad84275/image.png) In potential_rerun.xvg ![image](/uploads/3b881356edec29c973e8f520433f0d6d/image.png) **What did you expect the correct behavior to be?** The energy results in potential_md.xvg and potential_rerun.xvg should be same. **Possible fixes**
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