problem with executing MPI program in NAMD simulation

From: Yinglong Miao (yimiao_at_indiana.edu)
Date: Mon Jun 23 2008 - 17:12:56 CDT

Dear NAMDers,

Has anybody else had experiences with calling MPI programs in a NAMD
simulation? I have been doing this by using "exec mpirun ... ${MPI_PROG}
.." in the input configuration file. I test the MPI program separately
first and it runs fine, but when I put it in the NAMD simulation, the
following error messages come up:

FATAL ERROR: child process exited abnormally.

I suspect the error comes from calling MPI_finalize at the end of the MPI
code, which interrupts the NAMD MPI running environment. Can this be true?
Any clues or suggestions will be greatly appreciated.

Thanks!

-- 
Yinglong Miao
Ph.D. Candidate
Center for Cell and Virus Theory
Chemistry Department, Indiana University
800 E Kirkwood Ave Room C203A, Bloomington, IN 47405
Tel: 1-812-856-0981

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