From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Aug 27 2013 - 04:15:23 CDT
On Tue, Aug 27, 2013 at 11:06 AM, Haleh Abdizadeh
> Hello everybody,
> I am trying to run a namd simulation on a 80000 atoms system including a
> huge protein, water molecules and ions on a linux server using ++local
> /usr/local/NAMD_2.7_Linux-x86_64-CUDA/namd2 +idlepoll +devices 0 *.conf >
> *. txt using varying number of CPUs. When I try to use CUDA I get the
> following message :
> CUDA error memcpy to exclusions: invalid argument
> the error discription in output file is as follows :
> 23872 bytes of CUDA constant memory needed for exclusions
> So I tried my job on different machines with maximum 3029592 B memory but
> this time I get the error :
> ERROR(S) IN THE CONFIGURATION FILE
> the error in output file asks to specify cutoff distance and exclude.
> Although my conf file is completely correct and I can run it when I do not
> use CUDA.
> Could anyone please help me with this problem?
for starters, don't ask for help for a way outdated NAMD executable.
upgrade to a newer version and try again.
second, what kind of GPU do you have? perhaps it is not capable of
handling your system?
> Thank you.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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