From: Biff Forbush (biff.forbush_at_yale.edu)
Date: Tue Nov 17 2009 - 15:29:21 CST
it seems that NAMD should be exempt from the value judgement ("badly
written"). in any case, it would be of interest to know if this applies
to both 32- and 64-bit binaries.
regards,
biff forbush
Axel Kohlmeyer wrote:
> 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
>>
>
>
>
>
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