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  • #3737
Closed
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Created Oct 16, 2020 by Christian Blau@cblauMaintainer

gmx covar segfaults at .pdb output

As reported on the forum at https://gromacs.bioexcel.eu/t/gmx-covar-error/967 gmx covar segfaults when running gmx covar -f traj_comp.xtc -n covar.ndx -ascii -xpm -nofit -nomwa -noref -nopbc -s resized.gro.

Back Off! I just backed up average.pdb to ./#average.pdb.6#
[login-0-0:110527:0:110527] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x9883a50)
==== backtrace ====
0 0x0000000000dd9d71 write_pdbfile_indexed() ???:0
1 0x0000000000d93eb4 write_sto_conf_indexed() ???:0
2 0x00000000007f3f48 gmx_covar() ???:0
3 0x000000000060d3dc gmx::CommandLineModuleManager::run() ???:0
4 0x0000000000404f4c main() ???:0
5 0x0000000000021c05 __libc_start_main() ???:0
6 0x0000000000405011 _start() ???:0

resized.gro covar.ndx traj_comp.xtc

Edited Oct 16, 2020 by Christian Blau
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