From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed May 13 2015 - 15:39:17 CDT

Hi,
  Try running the SMP/multicore version of NAMD and your error should go away.
When running NAMD on a cluster/supercomputer, you need to launch it specially, via
mpiexec, charmrun, or something similar, and these cases aren't handled by the
AutoIMD plugin since they are machine-specific. You can still use the output files
that AutoIMD produces for runs like these, but you'll have to launch NAMD yourself.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Sat, May 09, 2015 at 05:08:44AM +0000, Ern Seang Ong wrote:
> Hi John,
> Thank you for the reply. I'm running on NAMD 2.10 with parallel build. The error log is as in the following.
>
> Attempt to connnect to the simulation timed out!
>
> NAMD Logfile:
> Reason: FATAL ERROR: Unknown command-line option +p1
> - -type
> (procedure "AutoIMD::autoconnect" line 15)
> invoked from within
> "AutoIMD::autoconnect"
> invoked from within
> ".autoimd.win.controls.connect invoke"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke]"
> (procedure "tk::ButtonUp" line 24)
> invoked from within
> "tk::ButtonUp .autoimd.win.controls.connect"
> (command bound to event)
>
> Regards,
> Ernest
>
> -----Original Message-----
> From: John Stone [mailto:johns_at_ks.uiuc.edu]
> Sent: Friday, 8 May 2015 2:13 PM
> To: Ern Seang Ong
> Cc: vmd-l_at_ks.uiuc.edu
> Subject: Re: vmd-l: Problems in running AutoIMD
>
> Hi,
> Sorry for the delay, I'm behind on email and this one is somewhat tricky.
> What version of NAMD are you running? Is it an SMP version of NAMD or a parallel build?
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Fri, May 01, 2015 at 05:49:39AM +0000, Ern Seang Ong wrote:
> > Hi,
> >
> >
> >
> > I have been trying to run AutoIMD but there is an error kept popping out
> > "Error connecting to localhost on port XXXX". In the error log, it says
> > "Reason: FATAL ERROR: Unknown command-line option +p1". I have tried many
> > different ways to solve it but still cannot resolve the problem. Can
> > anyone please help?
> >
> >
> >
> > Thank you.
> >
> >
> >
> > Ernest
> >
> >
> >
> >
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> NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
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> ________________________________
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> UNSW AUSTRALIA
> UNSW CANBERRA AT THE AUSTRALIAN DEFENCE FORCE ACADEMY
> PO Box 7916, CANBERRA BC 2610, Australia
> Web: http://unsw.adfa.edu.au
>
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-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/