RE: NAMD CUDA error message

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Fri Jan 14 2011 - 11:46:39 CST

You have two bonded atoms that are too far apart in index space, maybe a
disulfide bond? The only solution is to rebuild your PSF such that they are
as close together as possible and hope it's good enough. I've discussed
this issue with Jim and there's currently no other way around it, short of
rewriting how NAMD handles exclusions.

-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of snoze pa
Sent: Friday, January 14, 2011 11:38 AM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: NAMD CUDA error message

Hi I am trying to run NAMD cuda but it is givng me following error message.

Info: Updated CUDA force table with 4096 elements.
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: 18344 bytes of CUDA constant memory needed for
exclusions, but only 8192 bytes available. Increase MAX_EXCLUSIONS.

Info: Found 409 unique exclusion lists needing 18344 bytes
FATAL ERROR: 18344 bytes of CUDA constant memory needed for
exclusions, but only 8192 bytes available. Increase MAX_EXCLUSIONS.

Fatal error on PE 0> FATAL ERROR: 18344 bytes of CUDA constant memory
needed for exclusions, but only 8192 bytes available. Increase
MAX_EXCLUSIONS.

How to solve this problem?

Thank you very much for your help.

I am using precompiled version of NAMD-CUDA from UIUC website.

Thanks
S

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