Working Directory = /users/debarati/EOH/run1/
Hostname = XXXXXXXXXXX
Date = Thu Jul 22 15:27 EDT 2021
SLURM_GPUFILE ...
gpuNum=
Error: an illegal memory access was encountered launching kernel kClearForces
Unit 9 Error on OPEN: EOH_heating1.rst
STOP PMEMD Terminated Abnormally!
Has anyone seen any errors like this using GPU for temperature ramping steps?
My input file is this:
Restrained Heating Dynamics
&cntrl
imin = 0,
irest = 0, ntx = 1,
ntwe = 500, ntwx = 500, ntwr = 500, ntpr = 500,
ntt = 3, temp0 = 100, tempi = 10, gamma_ln=3,
dielc = 1, cut = 12, ig=-1,
ntb = 1, ntc = 2, ntf = 2,
nstlim = 20000, dt = 0.002,
ntr = 1, restraintmask =':1-159.CA,C,N,O| :160', restraint_WT = 5,
/
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Received on Fri Jul 23 2021 - 06:30:03 PDT
