running NAMD with ranger@tacc

From: Lei Shi (les2007_at_gmail.com)
Date: Wed May 07 2008 - 13:08:50 CDT

Dear namdlist,

The problem I have is different from the previous thread about running
NAMD with ranger_at_tacc...

I have been following the instruction from
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdAtTexas

to run NAMD at Ranger(TACC).

I noticed the following error

"Charm warning> Randomization of stack pointer is turned on in Kernel,
run 'echo 0 > /proc/sys/kernel/randomize_va_space' as root to disable
it. Thread migration may not work!"

I cannot tell the impact of this on the regular MD, because the system
seems maintaining sanity. But for FEP/MD, the free energy number I got
doubles what I got locally, which I assumes is what is supposed to be.

It is unlikely I can login as a root, so is it something I need to
talk to the staff there, or it's a compilation thing?

Thanks.
Lei

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