Re: [AMBER] job suspended

From: Albert <>
Date: Fri, 12 Aug 2016 17:15:42 +0200

Hello David:

Thanks a lot for the information.

I've run all the testing job including: pmemd, pmemd.MPI, pmemd.cuda and

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.....


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 mailing list
Received on Fri Aug 12 2016 - 08:30:04 PDT
Custom Search