# Software inconsistency error: unimplemented potential modifier

**URL:** <https://gromacs.bioexcel.eu/t/software-inconsistency-error-unimplemented-potential-modifier/10645>\
**Category:** User discussions\
**Created:** [November 27, 2024, 6:13am UTC](https://gromacs.bioexcel.eu/t/software-inconsistency-error-unimplemented-potential-modifier/10645 "2024-11-27T06:13:47Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![RahulS](https://avatars.discourse-cdn.com/v4/letter/r/b9e5f3/32.png) [@RahulS](https://gromacs.bioexcel.eu/u/RahulS)\
**Post date:** [November 27, 2024, 6:13am UTC](https://gromacs.bioexcel.eu/t/software-inconsistency-error-unimplemented-potential-modifier/10645/1 "2024-11-27T06:13:47Z")

</div>

GROMACS version: 2020.5  
GROMACS modification: Yes/No  
Here post your question  
gmx mdrun -v -deffnm min0

Reading file min0.tpr, VERSION 2020.5 (single precision)

NOTE: Parallelization is limited by the small number of atoms,  
only starting 1 thread-MPI ranks.  
You can use the -nt and/or -ntmpi option to optimize the number of threads.

Can not increase nstlist because an NVE ensemble is used  
1 GPU selected for this run.  
Mapping of GPU IDs to the 1 GPU task in the 1 rank on this node:  
PP:0  
PP tasks will do (non-perturbed) short-ranged interactions on the GPU  
PP task will update and constrain coordinates on the CPU  
Using 1 MPI thread

Non-default thread affinity set, disabling internal thread affinity

Using 32 OpenMP threads

* * *

Program: gmx mdrun, version 2020.5  
Source file: src/gromacs/mdlib/forcerec.cpp (line 869)

Software inconsistency error:  
unimplemented potential modifier

I am getting error while running, Free Energy Calculations: Methane in Water but i am running for protein-ligand complexes @jalemkul
