From: Haleh Abdizadeh (halehabdi_at_sabanciuniv.edu)
Date: Tue Aug 27 2013 - 04:06:29 CDT
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?
Thank you.
Best,
Haleh
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