segmentation fault?

Date: Wed Nov 05 2008 - 15:58:58 CST

Hi, there:

      Is there an upper limit of atom number that NAMD can handle?
      I was running a simulation with first 1000 step minimization and
then dynamics. But NAMD existed after the minimization with error

Application 471018 exit signals: Segmentation fault, Killed

      And the error in the output file is:

APINFO_NIDTERM: compute node initiated termination, possible out of
memory condition

      Is this a problem of limited compute memory? or, the namd
itself(wrong scripts, et al)? How can I estimate the memory needed for
a given atom number?
      BTW, the atom numbers of my system is about 15,000
      Thanks a lot.


The tree of liberty must be refreshed from time to time with the blood
of patriots and tyrants.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:50:03 CST