namd cvs memory leak?

Date: Thu Oct 22 2009 - 18:12:08 CDT

Dear all:

While using the NAMD CVS version, I found a memory leak problem. After
500,000 steps simulation, the memory usage goes from 76.781250 MB to
93.515625 MB. The relatively small amount of increase might not be a
big deal. However, I do intend to run long simulations, and the
clearly increasing trend would become a problem then.

Has anyone else noticed this also?


Here is some detail info about the cluster I'm testing on:

Info: NAMD 2.7b1 for Linux-amd64-MPI
Info: Please visit
Info: and send feedback or bug reports to
Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
Info: in all publications reporting results obtained with NAMD.
Info: Based on Charm++/Converse 60000 for mpi-linux-amd64-icc-mpich
Info: 1 NAMD 2.7b1 Linux-amd64-MPI 24 compute-3-13.local bingo
Info: Running on 24 processors.
Info: Charm++/Converse parallel runtime startup completed at 0.019257 s
Info: 62.3398 MB of memory in use based on /proc/self/stat
Info: Configuration file is relax.namd
TCL: Suspending until startup complete.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:24 CST