averaging from awk failed

[Sikandar Mashayak]

Hi

I am trying to make sure SPC/E water relative entropy tutorial works well after I made few modifications to csg code.

However, I am getting the table averaging error:

table_average.sh: averaging with awk failed

The log file is attached.

Not sure why this error occurring in step_002 while averaging seems to have worked well for step_001.

I guess, once this is issue is resolved, it should be ok to merge 'sikandar' branch to 'default'.

Thanks
Sikandar

[Sikandar Mashayak]

Hi Christoph

Please find attached the step_001/CG-CG.param.cur and step_002/CG-CG.param.cur.

Thanks
Sikandar

[Christoph Junghans]

Hi Sikandar,

I found it, there was a typo in awk script, so the error message got
lost, but the error was valid.
The x values of the two param files mismatch and hence
table_average.sh, gives an error.

Cheers,

Christoph

2013/9/30 Sikandar Mashayak <symas...@gmail.com>:

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[Sikandar Mashayak]

Thanks Christoph

You are right! There was an issue with writing out updated parameters for b-spline potentials.

I have corrected it. Soon, before the workshop, I will merge the changes with default.

Cheers
Sikandar

[dd ding]

hi Christoph

I had the same issue, can you tell me how you fixed it at the time?

yours

ddd

[Christoph Junghans]

On Tue, Mar 12, 2024 at 8:00 AM dd ding <winter...@gmail.com> wrote:

hi Christoph

I had the same issue, can you tell me how you fixed it at the time?

This issue was from 2013 and has been fixed a long time ago, I need a bit more context to help here.

Christoph

 

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