What is line 5 of your MDIN file? (or rather print your whole mdin file
here).
There's an unsupported namelist variable you're trying to use.
HTH,
Jason
On Thu, Oct 13, 2011 at 3:27 PM, Mo Chen <mc842.cornell.edu> wrote:
> Dear Amber users/developers,
> I have run into some problems when I used pmemd and pmemd.MPI to run a
> simulation. And the error messages are as below. May I ask how I could
> solve
> this problem? Thank you very much!
>
> chen.sugar9:~/celf-lbox/celf-bglc$ ./test
> forrtl: severe (19): invalid reference to variable in NAMELIST input, unit
> 5, file /home/chen/celf-lbox/celf-bglc/celfbglc_prod_3.in, line 5,
> position
> 17
> Image PC Routine Line
> Source
> libintlc.so.5 00007F38E335AF7A Unknown Unknown Unknown
> libintlc.so.5 00007F38E3359AF5 Unknown Unknown Unknown
> libifcore.so.5 00007F38E429C1F2 Unknown Unknown Unknown
> libifcore.so.5 00007F38E42115FB Unknown Unknown Unknown
> libifcore.so.5 00007F38E4210D0E Unknown Unknown Unknown
> libifcore.so.5 00007F38E4252E52 Unknown Unknown Unknown
> pmemd 00000000005A84B2 Unknown Unknown Unknown
> pmemd 00000000004ED11E Unknown Unknown Unknown
> pmemd 00000000004EC109 Unknown Unknown Unknown
> pmemd 0000000000402E2C Unknown Unknown Unknown
> libc.so.6 00007F38E2FD5EFF Unknown Unknown Unknown
> pmemd 0000000000402D29 Unknown Unknown Unknown
> chen.sugar9:~/celf-lbox/celf-bglc$ ./test
> forrtl: severe (19): invalid reference to variable in NAMELIST input, unit
> 5, file /home/chen/celf-lbox/celf-bglc/celfbglc_prod_3.in, line 5,
> position
> 17
> Image PC Routine Line
> Source
> libintlc.so.5 00007F596B17BF7A Unknown Unknown Unknown
> libintlc.so.5 00007F596B17AAF5 Unknown Unknown Unknown
> libifcore.so.5 00007F596C0BD1F2 Unknown Unknown Unknown
> libifcore.so.5 00007F596C0325FB Unknown Unknown Unknown
> libifcore.so.5 00007F596C031D0E Unknown Unknown Unknown
> libifcore.so.5 00007F596C073E52 Unknown Unknown Unknown
> pmemd.MPI 000000000062278F Unknown Unknown Unknown
> pmemd.MPI 000000000050EF19 Unknown Unknown Unknown
> pmemd.MPI 0000000000508B99 Unknown Unknown Unknown
> pmemd.MPI 000000000042031C Unknown Unknown Unknown
> libc.so.6 00007F596ADF6EFF Unknown Unknown Unknown
> pmemd.MPI 0000000000420219 Unknown Unknown Unknown
> --------------------------------------------------------------------------
> mpirun has exited due to process rank 0 with PID 23582 on
> node sugar9 exiting without calling "finalize". This may
> have caused other processes in the application to be
> terminated by signals sent by mpirun (as reported here).
> --------------------------------------------------------------------------
>
>
>
> Best,
> Mo Chen
> Graduate Student
> 120 Stocking Hall
> Cornell University
> Ithaca, NY 14850
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Oct 13 2011 - 13:00:03 PDT
