[gmx-users] illegal instruction while using mdrun command

Andy Chao achao at energiaq.com
Tue Jul 15 05:00:51 CEST 2014

Dear GROMACS Users:

I used the C4mimNTf2 ionic liquid TOP and GRO files to run MD simulation.
 Here are the commands that I used:

grompp -f em.mdp -c C4mimNTf2.gro -p c4mimNTf2.top -o NPT.tpr

mdrun -v -deffnm NPT

I got the following error messages:

Reading file NPT.tpr Version 4.6.5 (single precision)
Using 1 MPI thread
Using 1 OpenMP thread
Compiled acceleration: SSE4.1 (Gromacs could use AVX_256 on this machine,
which is better)
Illegal instruction (core dumped)..

Would you please explain the reason?  How to fix this problem?



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