[gmx-users] illegal instruction while using mdrun command

[Mark Abraham]

Hi,

I would not have thought that was possible, but the recommended solution is
to compile mdrun for the machine you plan to use it on. See
http://www.gromacs.org/Documentation/Installation_Instructions_4.6#4.3.1._Portability_aspects
for some details.

Mark


On Tue, Jul 15, 2014 at 5:00 AM, Andy Chao <achao at energiaq.com> wrote:

> 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?
>
> Thanks!
>
> Andy
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