[gmx-users] illegal instruction while using mdrun command
mark.j.abraham at gmail.com
Tue Jul 15 17:42:00 CEST 2014
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
for some details.
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?
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users