[gmx-users] Assertion error

A. Gomez-Sicilia agomezsicilia at cajal.csic.es
Tue Dec 3 11:25:34 CET 2013

Dear Gromacs users,

I am using Gromacs in a computer cluster using many processors (currently
228). Sometimes I get the following assertion error:

*Assertion `timerq->cursor <= current_time' failed at mxm/util/timerq.c:91*

This error presents at some time inside of the simulation, every run at a
different time, sometimes not at all, and is more frequent the more
processors I try to use.

The command I am using is:

*mdrun_plumed -quiet -pd -s q60Bemd.tpr -o q60Bemd.trr -e q60Bemd.edr -g
> q60Bemd.log -c q60Bemd.gro -cpi state.cpt -multi 6 -replex 12500 -plumed
> plumed -maxh 7.5*

Do you recognize the error? Any help will be appreciated.

Thank you for your help.


A. Gomez-Sicilia
Protein nanomechanics lab
Cajal Institute - CSIC
Avda. Doctor Arce, 37
28002 Madrid (Spain)
Phone number: (+34) 91-585.47.44
Fax number: (+34) 91-585.47.54
E-mail: agomezsicilia at cajal.csic.es

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