# BAR analysis error

**URL:** <https://gromacs.bioexcel.eu/t/bar-analysis-error/7462>\
**Category:** User discussions\
**Created:** [October 24, 2023, 5:17pm UTC](https://gromacs.bioexcel.eu/t/bar-analysis-error/7462 "2023-10-24T17:17:10Z")\
**Posts on this page:** 5\
**Page:** 1

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**Author:** ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)\
**Post date:** [October 24, 2023, 5:17pm UTC](https://gromacs.bioexcel.eu/t/bar-analysis-error/7462/1 "2023-10-24T17:17:10Z")

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Continuing the discussion from ["Assertion failed" error when running the BAR command](https://gromacs.bioexcel.eu/t/assertion-failed-error-when-running-the-bar-command/2485):

I have the same issue. I post the md\*.file I created using the [Free Energy Calculations](http://www.mdtutorials.com/gmx/free_energy/07_analysis.html)  
The output md\* files are posted on this site.  
[Just output files](https://github.com/pinoji/GROMACS)  
I have newly installed Ubuntu & 2023.3 GROMACS.  
It still gives me the same error. Thank you very much.

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**Author:** ![MagnusL](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/magnusl/32/2380_2.png) [@MagnusL](https://gromacs.bioexcel.eu/u/MagnusL)\
**Post date:** [October 25, 2023, 12:02pm UTC](https://gromacs.bioexcel.eu/t/bar-analysis-error/7462/2 "2023-10-25T12:02:24Z")

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That sounds strange. I tested your files and `gmx bar -f md*.xvg` ran fine, admittedly using the current main development branch of Gromacs, but I don’t see why 2023.3 would be different in this case. What’s the exact command you used to run `gmx bar`? Does a normal simulation run with that Gromacs installation? Does other analysis tools work?

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**Author:** ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)\
**Post date:** [October 25, 2023, 11:15pm UTC](https://gromacs.bioexcel.eu/t/bar-analysis-error/7462/3 "2023-10-25T23:15:59Z")

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I used exactly what the tutorial suggested. gmx bar -f md\*.xvg -o -oi  
On the previous version (I reinstall Linux so I lost the previous working version)  
I created xvg files and analysis worked okay at that time. I had those xvg files in the backup disk so I tried to analyze the old data using new version of GROMACS. However, new version gave me the same error (same as Tutorial). I will try to uninstall and reinstall the GROMACS again. I will post the question again if I see the same issue. Thank you very much for your help.

Executable: /usr/local/bin/gmx  
Data prefix: /usr/local  
Working dir: /home/Me/Desktop/0repeat/1st/Prod  
Command line:  
gmx bar -b 30 -f dhdl0.xvg dhdl10.xvg dhdl11.xvg dhdl12.xvg dhdl13.xvg dhdl14.xvg dhdl15.xvg dhdl16.xvg dhdl17.xvg dhdl18.xvg dhdl19.xvg dhdl1.xvg dhdl20.xvg dhdl2.xvg dhdl3.xvg dhdl4.xvg dhdl5.xvg dhdl6.xvg dhdl7.xvg dhdl8.xvg dhdl9.xvg -o -oi

dhdl0.xvg: Ignoring set ‘pV (kJ/mol)’.

* * *

Program: gmx bar, version 2023.3  
Source file: src/gromacs/gmxana/gmx\_bar.cpp (line 743)  
Function: sample\_coll\_insert\_sample(sample\_coll\_t\*, samples\_t\*, sample\_range\_t\*)::\<lambda()\>

Assertion failed:  
Condition: sc-\>next-\>s  
Next not properly initialized!

## For more information and tips for troubleshooting, please check the GROMACS website at [Common Errors — GROMACS webpage https://www.gromacs.org documentation](http://www.gromacs.org/Documentation/Errors)

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<div class="post-metadata">

**Author:** ![MagnusL](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/magnusl/32/2380_2.png) [@MagnusL](https://gromacs.bioexcel.eu/u/MagnusL)\
**Post date:** [October 26, 2023, 6:35am UTC](https://gromacs.bioexcel.eu/t/bar-analysis-error/7462/4 "2023-10-26T06:35:15Z")

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If you run into the same problem after the reinstallation of GROMACS it would be interesting to see if the test suite passes. I.e., if it works when you run `make check` where you built your GROMACS installation.

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<div class="post-metadata">

**Author:** ![pinoji1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pinoji1/32/1442_2.png) [@pinoji1](https://gromacs.bioexcel.eu/u/pinoji1)\
**Post date:** [October 26, 2023, 7:47pm UTC](https://gromacs.bioexcel.eu/t/bar-analysis-error/7462/5 "2023-10-26T19:47:55Z")

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> [@pinoji1](#):
>
> gmx bar -f md\*.xvg -o -oi

During the previous installation, I missed the error message “Could NOT find Sphinx (missing: SPHINX\_EXECUTABLE pygments) (Required is at least version “4.0.0”)”  
After installing “python3-sphinx”, and installing from home directly, it worked out. Thank you very much for the help. Now, it does BAR analysis.
