[gmx-users] illegal instruction while using mdrun command

[Szilárd Páll]

So, Andy, could you share the log file the above command produced?
--
Szilárd


On Tue, Jul 15, 2014 at 11:22 PM, Szilárd Páll <pall.szilard at gmail.com> wrote:
> On Tue, Jul 15, 2014 at 5:41 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
>> Hi,
>>
>> I would not have thought that was possible,
>
> It can happen e.g. if you configure with SSE4.1 acceleration, but you
> also use e.g. the -mfma4 or -march=bdver1 compiler flag.
>
>> 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
>>> --
>>> Gromacs Users mailing list
>>>
>>> * Please search the archive at
>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>>> posting!
>>>
>>> * 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.
>>>
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * 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.