[gmx-users] GROMACS 5.1.0 crashes on pbs queue system

Neha Gandhi n.gandhiau at gmail.com
Thu Feb 16 08:50:42 CET 2017

Dear List,

I have compiled gromacs 5.1.0 using MPI. The job runs interactively as well
as through pbs submission using two nodes. However, the job crashes
immediately when I submit more than two jobs. Below is the error:
mpirun noticed that process rank 18 with PID 153374 on node
cl2n045.ib0.hpc.qut.edu.au exited on signal 4 (Illegal instruction).
24 total processes killed (some possibly by mpirun during cleanup)

PBS Job 1662894.pbs
CPU time  : 00:00:34
Wall time : 00:00:05
Mem usage : 256kb

Any input is much appreciated.

Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Research Gate

More information about the gromacs.org_gmx-users mailing list