[gmx-developers] Ang: [gmx-developers] Fatal error: Atomtype'ºÚ?ýew*@??????Ù?' notfound!

Peter Ahlström Peter.Ahlstrom at hb.se
Thu Mar 7 14:58:08 CET 2002

Dear Mehmet et al.

I've had the same problem several years ago but unfortunately thrown away the files.

I believe that it could be a subtle single/double precision error (e.g. some binary files in another precision than the program)
I believe that I got rid of the problem just by 
either rerunning everything assuring that the the subsequent programs had the right precision or by
recompiling everything making sure that nothing with the wrong precision was still in the directories.

Good luck

Peter Ahlström            
School of Engineering
University College of Borås
SE-501 90 Borås
Sweden(peter.ahlstrom at hb.se)

<<< Mehmet Suezen <suzen at theochem.tu-muenchen.de>  7/3 14:37   >>>
Dear Gromacs developer,

What may cause to have such a Fatal Error? That is appeared in
at2type() after running grommp.

an example output from grommp

NRFP(ftype)   7
pline at push_nbt   Si    Si      3       872362571    15.2207    
23.30022769    13.2332     0.4  18   6
i     0 and at->nr     2 and str Si
i     2 and at->nr     2 and str ºÚSýew*@s?????Ù?

Seemingly index i and at->ar is equal and screw up in reading string,
how could one reach such point?

I've added new potential entries in push_nbt() of src/kernel/toppush.c.
And format is appeared to be 

Any idea would be great!.

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