problem with executing MPI program in NAMD simulation

From: Yinglong Miao (
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.


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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