Hi Fabricio,
> I am having some troubles in finding a solution to this problem.
> Everytime I run the command "mpirun -np 2 ptraj input.prmtop <
Firstly you should be using ptraj.MPI I believe and NOT just ptraj although
what you show below as output does not seem to agree with what you are
writing here as the command line.
> Version: "AMBER 11.0 integrated" (4/2010)
> -/- Executable is: "ptraj.MPI"
> /-\ Running on 2 processor(s)
> \-/ MULTIPTRAJ must be run with <TOP> and <INPUT>.
>
> Something seems to be wrong with my input command line, but what?
You cannot use the redirection of standard in for mpi commands since stdin
is ambiguous. From which thread? - hence you should just specify the name of
the prmtop file and your input file and do NOT specify the '<' redirector.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Tue Jun 28 2011 - 12:00:03 PDT
