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Bug #259

make_ndx crashes if *.tpr is used as input

Added by Orsolya Gereben almost 11 years ago. Updated almost 11 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Platform: Intel(R) Xeon(R) CPU E5345 @ 2.33GHz
4.0 GROMACS installed for parallel simulation

make_ndx crashes, or just keep pending, if *.tpr is used as input, although it works fine for *.gro input.
For the methanol example in the tutor/methanol directory
1: run input is created with grompp -maxwarn 10 -o met
2: make_ndx -f met.tpr

tarts showing the program description header, then:

Reading file met.tpr, VERSION 4.0 (single precision)

Reading structure file
Reading file met.tpr, VERSION 4.0 (single precision)
Going to read 0 old index file(s)
Analysing residue names:
Szegmens hiba (This means segmentation fault)

For other example it did not give segmentation fault, just froze after "Reading file ..."

History

#1 Updated by Berk Hess almost 11 years ago

This bug has already been fixed in 4.0.2.

Berk

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