problem running namd

From: Michel Espinoza-Fonseca (
Date: Mon Apr 04 2005 - 11:54:45 CDT

Hi all,

I compiled NAMD on an Altix machine. The executable ran very well and
perform very good. I was really excited about running namd in a bigger
machine, but when I sent the job I got the following message:

Charm++> MPI timer is synchronized!
Info: NAMD 2.5 for Linux-ia64
Info: Please visit
Info: and send feedback or bug reports to
Info: Please cite Kale et al., J. Comp. Phys. 151:283-312 (1999)
Info: in all publications reporting results obtained with NAMD.
Info: Based on Charm++/Converse 0143163 for mpi-linux-ia64-ifort-mpt-icc
Info: Built Thu Mar 10 18:04:44 CST 2005 by espinoza on balt
Info: Sending usage information to NAMD developers via UDP. Sent data
Info: 1 NAMD 2.5 Linux-ia64 18 espinoza
./namd2-altix: relocation error: ./namd2-altix: undefined symbol:
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: aborting job

And of course the job just crashed. I also executed it without a input
file, in order to test the binary, and I got the same problem. Do you
have any suggestions on how can I solve the problem? Do I need to
recompile namd?

Thank you very much!

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