Re: NAMD hangs at "OPENING EXTENDED SYSTEM TRAJECTORY FILE" / PME error

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Mon Aug 06 2007 - 10:16:47 CDT

Are you running on a single machine? How large is the simulated system?
Perhaps you are running out of memory?

Jim Pfaendtner escribió:
> Hi,
>
> NAMD is hanging at the start of a job with the error "OPENING EXTENDED
> SYSTEM TRAJECTORY FILE" at the first time step. The error does not
> occur when I use "PME off". However, I need to have PME on - so I
> have to figure out what's going on.
>
> I am using an identical input file that I have previously used, and
> I'm just changing the box size and PME grid size to fit the system I'm
> using.
>
> Has anyone experienced this problem before? Or does anyone have any
> suggestions on how to fix this?
>
> thank you,
>
> Jim
>
>

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