Dear amber users and developers,
I am trying to simulate a protein-protein complex of a length 608
residues, but my simulation somehow stopped in the heating stage. The error
what I am getting is below
*Error: an illegal memory access was encountered launching kernel
kClearForcescudaFree GpuBuffer::Deallocate failed an illegal memory access
was encounteredSTOP PMEMD Terminated Abnormally!*
My heating script is
&cntrl
imin = 0,
irest = 0,
ntx = 1,
ntb = 1,
cut = 8.0,
ntr = 1,
ntc = 2,
ntf = 2,
tempi = 0.0,
temp0 = 300.0,
ntt = 3,
gamma_ln = 2.0,
nstlim = 25000, dt = 0.002,
ntpr = 100, ntwx = 100, ntwr = 1000,
restraintmask=':1-608',
restraint_wt = 2.0
/
Can anyone tell me what is the error means and how to solve this?
thank you in advance
--
with regards
Rajarshi Roy
PhD Research Scholar
Biosciences and Biomedical Engineering
Indian Institute of Technology, Indore
India
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Received on Thu Feb 08 2018 - 01:00:02 PST
