Dear Amit,
> After compilation of amber9 (with intel compiler 9.0.033)
> test.parallel
> and test.serial went fine. I am getting following error when I have
> submitted my own job as mpirun -np 8 sander.PMI -O -i 1pfy.md.in -o
> 1pfy.110.out -p 1pfy.prm.top -c 1pfy.100.res -r 1pfy.110.res -x
> 1pfy.110.crd
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%
> forrtl: severe (19): invalid reference to variable in
> NAMELIST input, unit
> 5, file /altix_home/scratch/amit/MD/1pfy.md.in, line 11, position 28
> MPI: MPI_COMM_WORLD rank 0 has terminated without calling
> MPI_Finalize()
> MPI: aborting job
Does this calculation run in serial? It is always best to make sure your
calculation will run at least a couple of steps in serial before trying to
run a large parallel job.
I suspect it is a problem with your input file. Either a typo, missing comma
etc. Can you post the 1pfy.md.in file?
All the best
Ross
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|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Tue May 09 2006 - 21:39:11 PDT
