Nightly build version: Parallel IO can not be used with langevin On

From: Yudong Sun (yudong_at_nag.co.uk)
Date: Fri May 07 2010 - 06:21:57 CDT

Hi,

I have a simulation case that ran into infinite loop in minimization
with NAMD 2.7b1/b2. According the search result in NamdWiki, I have
downloaded the latest Nightly build source. However, the nightly build
version has generated a new error at startup :

FATAL ERROR: Parallel IO can not be used with langevin On.

FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Parallel IO can not be used with langevin On.

FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html

As I see, this error check is newly added to NamdState.C which doesn't
exist in 2.7b2. Does it make sense if I comment out the check and let
the simulation move on?

I sent this error to namd_at_ks.uiuc.edu two days ago but no feedback yet.

Thanks,

Yudong

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