Hello David:
Thanks a lot for the information.
I've run all the testing job including: pmemd, pmemd.MPI, pmemd.cuda and
pmemd.cuda.MPI
All of them passed successfully...
I don't have the "suspended" problem before until I compiled the
Amber-16 with Intel compiler these days. Similar things also happen to
my Gromacs....
I am quite confused about what's happening.....
regards
On 08/12/2016 05:11 PM, David A Case wrote:
> On Fri, Aug 12, 2016, Albert wrote:
>> I wrote all steps for Amber MD simulation in a .tcsh script. Then I
>> submitted the job into the local GPU workstation by command line:
>>
>> nohup ./job.tcsh &
>>
>> However, I obtained the following messages immediately:
>>
>> nohup ./job.csh &
>> [1] 13433
> This is expected, and would be the message you would get from any program
> that was put into the background via the "&" argument.
>>
>> No any steps is running after I submit the job.
> We essentially have no information here. Be sure that if you do the same
> thing for one of the test cases (e.g. in $AMBERHOME/test/cuda/dhfr/Run.dhfr)
> that you get the expected output. This will help distinguish between problems
> with your installation and problems with your specific inputs.
>
> Generally, to debug, just try a very short run first, with ntpr=1. You won't
> need to put such jobs in the background.
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 12 2016 - 08:30:04 PDT
