I figured out that there is some issue with PMEMD.mpi. The jobs get kill
abruptly again and again. There is no error in the output file.
Please let me know what information you need (output file is attached)
Thanks,
Hirdesh
**
On Mon, Jan 30, 2017 at 4:56 PM, Hirdesh Kumar <hirdesh.iitd.gmail.com>
wrote:
> Hi Dac,
>
> The job did not start at all. Interestingly, same job with same files ran
> on different server. ( no warning, no error, normal output)
>
> Further, when I changed pmemd.MPI to sander.MPI. the job started running
> on my system.
>
> What I know that pmemd.MPI works because minimization 1 (min1) was fine
> and later heating etc were fine too.
>
> Best,
> Hirdesh
>
> **
>
> On Mon, Jan 30, 2017 at 4:52 PM, case <david.case.rutgers.edu> wrote:
>
>> On Mon, Jan 30, 2017, Hirdesh Kumar wrote:
>>
>> > I recently installed Amber16 on my system. I am trying to perform
>> all-atom
>> > MD simulation of my system (protein-ligand).
>> >
>> > *Primary job terminated normally, but 1 process returneda non-zero exit
>> > code.. Per user-direction, the job has been
>> > aborted.
>>
>> Have you looked a the min2.out file to see if there is an error message
>> there?
>> Does it look like the job completed? Did you get a min2.rst file?
>>
>> ....dac
>>
>>
>> _______________________________________________
>> AMBER mailing list
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
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- application/octet-stream attachment: eq2.out
Received on Mon Jan 30 2017 - 16:00:02 PST
