Re: Error running simulation on KRAKEN XT5

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Mar 10 2009 - 23:32:45 CDT

I assume you're referring to the XT5... this looks like a specific
problem to that platform. I'll notify the developers.
Best,
Peter

harish vashisth wrote:
> Hi,
> Has someone ever experienced some error of this sort using namd2.6 at
> the beginning of minimization:
>
> exactly at T = 0, the run gets killed..not sure what the error is even.
> Can someone help?
>
>
> ETITLE: TS BOND ANGLE DIHED
> IMPRP ELECT VDW BOUNDARY
> MISC KINETIC TOTAL TEMP
> POTENTIAL TOTAL3 TEMPAVG PRESSURE
> GPRESSURE VOLUME PRESSAVG GPRESSAVG
>
> ENERGY: 0 94464.2551 31914.8294 8034.8976
> 377.4359 -1095961.5879 65553233.8330 0.0000
> 0.0000 0.0000 64592063.6630 0.0000 64592063.6630
> 64592063.6630 0.0000 5323283.5199 5352798.0880
> 3417698.3594 5323283.5199 5352798.0880
>
> OPENING EXTENDED SYSTEM TRAJECTORY FILE
> MINIMIZER SLOWLY MOVING ATOMS WITH BAD CONTACTS DOWNHILL
> _pmii_daemon(SIGCHLD): PE 0 exit signal Segmentation fault
> [NID 4]Apid 30222: initiated application termination
> Application 30222 exit codes: 139
> Application 30222 resources: utime 0, stime 0
>

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