From: Vidhya Sankar (vidhyasankar7928_at_yahoo.com)
Date: Wed Feb 05 2020 - 06:28:37 CST
Dear Namd user , I run My dna and nano pore simulation in namd 2.13 using charmm 36 force field it run well in cpu but it shows error sometimes in GPU as follows
Reason: FATAL ERROR: High global CUDA exclusion count! (25501 vs 25365) System unstable or pairlistdist or cutoff too close to periodic cell size.
some times For the same input configuration file it run well in same GPU in same namd 2.13 version i have given the same input files (.psf and .pdb) and same MD parameters could anyone help me to give suggestion for this problem
i surfed mailing list well but no clear idea i am not able to get
with regardsS.vidhya sankar
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