[gmx-developers] segfault in mdlib/qmmm.c

Åke Sandgren ake.sandgren at hpc2n.umu.se
Thu Nov 19 20:55:23 CET 2009


I have an input set that makes gromacs segfault in qmmm.c when compiled
for mpi.
The segfault is in init_QMrec on the
qm->nelectrons       += mtop->atomtypes.atomnumber[atom->type];
atomnumber is NULL.

Where is the bug? On that line or somewhere else?
I.e. is it a bug that it is NULL or that it isn't protected against that

Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90 7866126
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se

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