# Found error after running gmx\_mpi mdrun -v -deffnm npt -plumed metad.dat , any solution for that?

**URL:** <https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939>\
**Category:** User discussions\
**Created:** [April 1, 2022, 1:25pm UTC](https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939 "2022-04-01T13:25:56Z")\
**Posts on this page:** 5\
**Page:** 1

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**Author:** ![garg.8](https://avatars.discourse-cdn.com/v4/letter/g/f6c823/32.png) [@garg.8](https://gromacs.bioexcel.eu/u/garg.8)\
**Post date:** [April 1, 2022, 1:25pm UTC](https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939/1 "2022-04-01T13:25:56Z")

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GROMACS version:  
GROMACS modification: Yes/No  
Here post your question: Found error after running gmx\_mpi mdrun -v -deffnm npt -plumed metad.dat , any solution for that ?  
tarting mdrun ‘Protein in water’  
75000000 steps, 150000.0 ps.  
[ad2-PC:33647] \*\*\* Process received signal \*\*\*  
[ad2-PC:33647] Signal: Segmentation fault (11)  
[ad2-PC:33647] Signal code: Address not mapped (1)  
[ad2-PC:33647] Failing at address: 0x30  
[ad2-PC:33647] [0] /lib/x86\_64-linux-gnu/libpthread.so.0(+0x12980)[0x7f07dbd38980]  
[ad2-PC:33647] [1] /usr/lib/x86\_64-linux-gnu/libmpi.so.20(PMPI\_Allreduce+0x189)[0x7f07dc1a3499]  
[ad2-PC:33647] [2] /usr/local/lib/libplumedKernel.so(\_ZN4PLMD6colvar16CoordinationBase9calculateEv+0x470)[0x7f07c91343c0]  
[ad2-PC:33647] [3] /usr/local/lib/libplumedKernel.so(\_ZN4PLMD10PlumedMain13justCalculateEv+0x32d)[0x7f07c91f09fd]  
[ad2-PC:33647] [4] /usr/local/lib/libplumedKernel.so(\_ZN4PLMD10PlumedMain11performCalcEv+0x11)[0x7f07c91f0f41]  
[ad2-PC:33647] [5] /usr/local/lib/libplumedKernel.so(\_ZN4PLMD10PlumedMain3cmdERKNSt7\_\_cxx1112basic\_stringIcSt11char\_traitsIcESaIcEEEPv+0x1133)[0x7f07c91f3303]  
[ad2-PC:33647] [6] /usr/local/lib/libplumedKernel.so(plumed\_plumedmain\_cmd+0x8f)[0x7f07c9205d8f]  
[ad2-PC:33647] [7] /usr/local/gromacs/bin/gmx\_mpi(+0x54b031)[0x560e9557f031]  
[ad2-PC:33647] [8] /usr/local/gromacs/bin/gmx\_mpi(+0x5e864e)[0x560e9561c64e]  
[ad2-PC:33647] [9] /usr/local/gromacs/bin/gmx\_mpi(+0x5eaae7)[0x560e9561eae7]  
[ad2-PC:33647] [10] /usr/local/gromacs/bin/gmx\_mpi(+0x84cee)[0x560e950b8cee]  
[ad2-PC:33647] [11] /usr/local/gromacs/bin/gmx\_mpi(+0xa5b2e)[0x560e950d9b2e]  
[ad2-PC:33647] [12] /usr/local/gromacs/bin/gmx\_mpi(+0x8ca90)[0x560e950c0a90]  
[ad2-PC:33647] [13] /usr/local/gromacs/bin/gmx\_mpi(+0x8d66e)[0x560e950c166e]  
[ad2-PC:33647] [14] /usr/local/gromacs/bin/gmx\_mpi(+0xb2939)[0x560e950e6939]  
[ad2-PC:33647] [15] /usr/local/gromacs/bin/gmx\_mpi(+0x7f8dc)[0x560e950b38dc]  
[ad2-PC:33647] [16] /lib/x86\_64-linux-gnu/libc.so.6(\_\_libc\_start\_main+0xe7)[0x7f07dabe4c87]  
[ad2-PC:33647] [17] /usr/local/gromacs/bin/gmx\_mpi(+0x808ca)[0x560e950b48ca]  
[ad2-PC:33647] \*\*\* End of error message \*\*\*  
Segmentation fault (core dumped)

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**Author:** ![pszilard](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pszilard/32/21_2.png) [@pszilard](https://gromacs.bioexcel.eu/u/pszilard)\
**Post date:** [April 28, 2022, 10:15pm UTC](https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939/2 "2022-04-28T22:15:42Z")

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This is a crash that occurred inside the PLUMED library, I suggest to seek help from the PLUMED community.

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**Author:** ![BiaFonseca](https://avatars.discourse-cdn.com/v4/letter/b/50afbb/32.png) [@BiaFonseca](https://gromacs.bioexcel.eu/u/BiaFonseca)\
**Post date:** [May 12, 2022, 9:36pm UTC](https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939/3 "2022-05-12T21:36:36Z")

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Anyone found a fix for this? I’m having the same problem. If I run it without plumed, it runs fine, so I dont think it’s the system blowing up.

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**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\
**Post date:** [May 15, 2022, 6:37pm UTC](https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939/4 "2022-05-15T18:37:58Z")

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> [@BiaFonseca](#):
>
> If I run it without plumed, it runs fine

This confirms what @pszilard said above - it’s a PLUMED problem, not a GROMACS problem. Inquire with their help forum.

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<div class="post-metadata">

**Author:** ![BiaFonseca](https://avatars.discourse-cdn.com/v4/letter/b/50afbb/32.png) [@BiaFonseca](https://gromacs.bioexcel.eu/u/BiaFonseca)\
**Post date:** [May 18, 2022, 7:08pm UTC](https://gromacs.bioexcel.eu/t/found-error-after-running-gmx-mpi-mdrun-v-deffnm-npt-plumed-metad-dat-any-solution-for-that/3939/5 "2022-05-18T19:08:46Z")

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I’ve realized it was because I had the geometry file in the plumed .dat file as .gro, when it has to be in .pdb format. Worth checking if anyone is having a similar problem.
