NAMD 2.6 in IBM SP

From: Xinghua Shi (
Date: Sat Nov 05 2005 - 09:12:12 CST

Hi everyone,


I wonder if somebody has successfully used NAMD 2.6 in IBM SP computers. I
have successfully compiled it in IBM SP computers, yet in executing the
error will occur with information:


        ATTENTION: 0031-408 8 tasks allocated by LoadLeveler, continuing...

           ------------- Processor 0 Exiting: Called CmiAbort ------------

                                          Reason: CthResume: swapcontext


I also tried the precompiled binary for IBM-SP to test it and the error
information was the same as mentioned above.

It seems the problem comes from the charm++ (version 5.9). If NAMD 2.6 is
compiled with the previous charm++ version (use charm.tar in the source code
of NAMD 2.5), such problem will be solved. Yet the new feature of ABF
(adaptive biasing force) in 2.6 will not work anymore, which is my original
intention to compile version 2.6.


Thanks for any solutions and suggestions!


Xinghua Shi

Max Planck Institute for Metals Research
Heisenbergstr. 3, 70569 Stuttgart, Germany
Phone: (+49-711) 689-3567
Fax: (+49-711) 689-3512

E-mail: <>


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