VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Feb 06 2006 - 12:44:13 CST

Hi,
  What file format are you reading from, and is this a Windows machine?
Not all of the file readers can handle files larger than 2GB on Windows...
In particular, all of the file readers that use the libc standard I/O
routines on Windows are inherently limited to reading files that are
2GB or less due to limitations of the Windows C library implementation.
I've recently improved the DCD reader to allow access to huge files
by using native Windows I/O calls that can deal with 64-bit files, but
this doesn't help things for XYZ and other ASCII file formats. If you
can tell me what format your CPMD results are in, I can have a look at
the file reader for that format and see if there's anything that can be done.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Feb 06, 2006 at 07:02:27PM +0100, bizoniusz_at_o2.pl wrote:
> Dear VMD's Usres!
>
> I have some trajectory from CPMD.I have 142 atoms and 150000 steps
> simulations.When I try to use vmd 1.8.4b10, the program stop on
> 53622 steps.I check the trajectory and she looks good. What should I
> do? Maybe vmd have some limits to record steps?
>
> Best regards!
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078