Date: Wed, 31 Oct 2018 12:22:45 +0800
Dear All,
Hope you are well.
I am doing Amber MD simulation and I encountered this following error:
[image: image.png]
Error: an illegal memory access was encountered launching kernel
kClearForces
cudaFree GpuBuffer::Deallocate failed an illegal memory access was
encountered
The input file for the heating is as follows:
*heat.in <http://heat.in>*
heating
&cntrl
nmropt = 1,
imin = 0, irest = 0, ntx = 1,
nstlim = 25000, dt = 0.001, ntpr = 500, ntwx = 500,
ntr = 1, restraintmask = ':1-589', restraint_wt = 2.0,
ntc = 2, ntf = 2, ntb = 1, cut = 8.0,
ntt =3, gamma_ln = 2.0, ig = -1, tempi = 100.0, temp0 = 300.0
/
&wt TYPE = 'TEMP0', istep1 = 0, istep2 = 25000, value1 = 100.0, value2 =
300.0
/
&wt TYPE = 'END'
/
I tried to find this error in the amber forum but there are no helpful
solutions. That's why I bothered to email you personally. Kindly suggest
your opinion on it to continue the MD simulation.
Thank you,
Avirup
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