From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Aug 27 2013 - 05:15:45 CDT
On Tue, Aug 27, 2013 at 12:13 PM, Haleh Abdizadeh
> I am using a C2050 GPU on a machine with 64GB RAM. As I checked the GPU
> card has 64KB constant memory so there must be not a problem with the card.
> Using a newer version of the NAMD gives an error implying that there is a
> problem with conf file : ERROR(S) IN THE CONFIGURATION FILE
> But the same conf file works fine without a CUDA card.
that is no proof that there is no error in the conf file. problems are
not solved by avoiding them, but by understanding them.
> On Tue, Aug 27, 2013 at 12:15 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>> On Tue, Aug 27, 2013 at 11:06 AM, Haleh Abdizadeh
>> <halehabdi_at_sabanciuniv.edu> wrote:
>> > 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 for starters, don't ask for help for a way outdated NAMD executable.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.
>> > Best,
>> > Haleh
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>> International Centre for Theoretical Physics, Trieste. Italy.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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