# Gmx grompp 2020.1

**URL:** https://gromacs.bioexcel.eu/t/gmx-grompp-2020-1/958
**Category:** User discussions
**Created:** [October 14, 2020, 2:56pm UTC](https://gromacs.bioexcel.eu/t/gmx-grompp-2020-1/958 "2020-10-14T14:56:28Z")
**Posts on this page:** 4
**Page:** 1

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### Author: ![Alex](https://avatars.discourse-cdn.com/v4/letter/a/db5fbb/32.png) [@Alex](https://gromacs.bioexcel.eu/u/Alex)
#### Post date: [October 14, 2020, 2:56pm UTC](https://gromacs.bioexcel.eu/t/gmx-grompp-2020-1/958/1 "2020-10-14T14:56:28Z")

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GROMACS version: 2020.1  
GROMACS modification: No

Dear all,

The gmx grompp starts fine and then fails to produce the \*.tpr file by giving the below error:  
…  
…  
…  
Number of degrees of freedom in T-Coupling group Other is 182768.00  
Number of degrees of freedom in T-Coupling group SOL is 556035.00  
Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 331.9 K  
\_pmiu\_daemon(SIGCHLD): [NID 05437] [c0-2c0s15n1] [Wed Oct 14 00:30:04 2020] PE RANK 0 exit signal Segmentation fault  
Application 20209238 exit codes: 139  
Application 20209238 resources: utime ~4s, stime ~2s, Rss ~23140, inblocks ~0, outblocks ~236656

I thought it might be a problem with the gmx grompp by itself in 2020.1 version as the gmx mdrun works fully fine in the same machine using the \*.tpr file (for the same MD system) generated somewhere else.  
Additionally, the gmx grompp of older versions of Gromacs works also fine in the same machine.

Regards,  
Alex

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### Author: ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)
#### Post date: [October 15, 2020, 8:33am UTC](https://gromacs.bioexcel.eu/t/gmx-grompp-2020-1/958/2 "2020-10-15T08:33:13Z")

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Hi,  
it looks to me a possible bug. Did you get the same error with 2020.4?  
Kind regards  
Alessandra

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### Author: ![Alex](https://avatars.discourse-cdn.com/v4/letter/a/db5fbb/32.png) [@Alex](https://gromacs.bioexcel.eu/u/Alex)
#### Post date: [October 15, 2020, 6:20pm UTC](https://gromacs.bioexcel.eu/t/gmx-grompp-2020-1/958/3 "2020-10-15T18:20:58Z")

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Hi,  
No, I have not tried the 2020.4 one.  
I don’t think it is a bug with the 2020.1 as no issue occurs for the 2020.1 in other machines to which I have access.

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### Author: ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)
#### Post date: [October 16, 2020, 9:23am UTC](https://gromacs.bioexcel.eu/t/gmx-grompp-2020-1/958/4 "2020-10-16T09:23:01Z")

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I see, do you mean that running the same input on other machines did not give segmentation fault ?  
Have those machine the same hardware?

Kind regards  
Alessandra
