[EVsrU+nRTkUnmlvctuNCo0Tu_KdgVuX29n7NlREJ3BWIDsbrosImS9ifM7L-AV7NZh8X3Uz9Bgi
yVHhp0EPyYuyxQWoQ]
Dear All,
I tried the TI calculation protein system with GPU ,
but the jobs is abnormally ter minated with system error message ,
cudaMemcpy GpuBuffer::Download failed an illegal memory access was
encountered
The mdout file didn't show any error messages.
The version of amber is 18 and amber compiled with icc16 and cuda-9.2.
Here is the input file:
----------------------------------------------------------------------------
-
TI simulation
&cntrl
imin = 0, nstlim = 2500000, irest = 1, ntx = 5, dt = 0.002,
ntt = 3, temp0 = 300.0, gamma_ln = 2.0, ig = -1,
ntc = 2, ntf = 1,
ntb = 2,
ntp = 1, pres0 = 1.0, taup = 2.0,
ioutfm = 1, iwrap = 1,
ntwe = 1000, ntwx = 10000, ntpr = 10000, ntwr = 20000,
icfe = 1, ifsc = 1, clambda = 0.01592, scalpha = 0.5, scbeta = 12.0,
logdvdl = 1,
timask1 = ':43,232,421', timask2 = ':189,378,567',
scmask1 = ':43,232,421', scmask2 = ':189,378,567',
/
&ewald
/
----------------------------------------------------------------------------
----
|------------------- GPU DEVICE INFO --------------------
|
| CUDA_VISIBLE_DEVICES: 1
| CUDA Capable Devices Detected: 1
| CUDA Device ID in use: 0
| CUDA Device Name: GeForce GTX TITAN
| CUDA Device Global Mem Size: 6083 MB
| CUDA Device Num Multiprocessors: 14
| CUDA Device Core Freq: 0.88 GHz
|
|--------------------------------------------------------
Additionally, I tried TI tutorial using pmemd.cuda,
(
http://ambermd.org/tutorials/advanced/tutorial9/index.html#home)
sometimes I saw the same error message.
Does anyone know the reason and have suggestion?
Many thanks,
Mooseok.
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Received on Wed Mar 13 2019 - 01:30:02 PDT
