Error in OpenBabel package

asked 2017-03-07 06:02:18 -0500

madchem gravatar image

As I updated from FC22 to FC24, it is the same error in OpenBabel package. Till FC25 that error is present. I tried to install openbabel package from repos and compile it by myself. The results are the same: when I want to convert NWChem output file into any other format, I recieve this error:

*** Error in `babel': free(): invalid pointer: 0x00007f1852c86330 ***
======= Backtrace: =========

On CentOS 7 and on Arch Linux all is good. So I guess it is fedora problem. You can try it out by installing openbabel package and using nwchem output file with the command:

babel -inwo file.nwo -oxyz
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can you provide a nwchem output file for testing?

fcomida gravatar imagefcomida ( 2017-03-08 07:21:37 -0500 )edit

This is NWChem output file. Try to install openbabel package and convert this file with

babel -inwo naoh1.out -oxyz
madchem gravatar imagemadchem ( 2017-03-11 14:17:54 -0500 )edit

It's crashing here, f24. File a bug report upstream.

fcomida gravatar imagefcomida ( 2017-03-15 10:45:51 -0500 )edit