Working Directory =/C3N/SITE4/EQUIL/PRODUCTION_NVT/0.43738
Hostname = mega1
Date = Thu Mar 5 16:35:12 EST 2020
SLURM_GPUFILE ...
gpuNum=
Error: an illegal memory access was encountered launching kernel kNLSkinTest
Any ideas on how to tackle this error?
Thanks
My input file is as follows:
&cntrl
imin = 0, nstlim = 500, dt = 0.001,
irest = 1, ntx = 5, ig = -1,
tempi = 300.0, temp0 = 300.0,
ntc = 2, ntf = 1, tol = 0.00001,
ntwx = 1, ntwe = 1, ntwr = 1, ntpr = 1,
cut = 12.0,
ntt =3, ntb = 1, ntp = 0, gamma_ln=2.5,
nscm = 0,
ntr=1, restraintmask=':1', restraint_wt = 20.00,
icfe = 1, clambda = 0.43738, ifsc=1,
timask1=':C3N',timask2='',
scmask1=':C3N', scmask2=''
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Received on Thu Mar 05 2020 - 14:00:02 PST
