Re: NAMD file limitation in Win32 - windows XP

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Nov 17 2009 - 12:33:09 CST

richard,

On Tue, Nov 17, 2009 at 12:51 PM, Richard Owczarzy <rowczarzy_at_idtdna.com> wrote:
> I was running NAMD version 2.7b1 in Windows XP, Service Pack 2. I downloaded
> Win32 binaries. The hard disk is in NTFS format, so it can handle large
> files. When dcd trajectory file reaches 4GB, trajectories are not recorded
> anymore although NAMD continues running and does not report any errors.
> Other applications had no problems to create 8GB files in the OS, but the
> output from NAMD is limited to 4GB.
>
> Is it because the way NAMD was compiled for Win32? Is there any way to
> increase this limit?

why don't you just run chunks of calculations and restart between them?
this is common practice in MD and will protect you from losing too much
data in long/large runs altogether. it will also make the data management
much easier. i usually try to keep all my data files well below 2GB (which
is a limit for many 32-bit apps or badly written 64-bit apps).

cheers,
    axel.

>
>
>
> Thank you,
>
>
>
> Richard Owczarzy

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.

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