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From lammps-users:
I want to simulate a system that contain mW water with Sw potential
and also hybrid with lj potential with other type particle
everything is ok when I just use mpi run this system
but when i try to use gpu to accelerate, the thermal output like pressure,
get nan and finally system get crash.
(the neighbor list doesn't use gpu-accelerate, also I check the gpu-accelerate
can be used in the example input file)
1. the version I used often is 15May2015 , but i also try the 3May2016 version
and also have these problem
2. (a) Linux version 2.6.32-573.12.1.el6.x86_64 (mockbuild@sl6-kojislave01.fnal.gov)
(gcc version 4.4.7 20120313 (Red Hat 4.4.7-16) (GCC) )
(b) CPU : Intel(R) Core(TM) i7-4770 CPU @ 3.40GHz ( 8 core)
(c) GPU : Tesla C2075
Nvidia-smi 352.68
(d) the package is gpu on pair force ( sw/gpu and lj/gpu)
(e) at first, I use the double precision, and also single give me the same problem
The file are all in attached files
Thank for all your assistance
Yi-Xian
mw.sw.txt
data.input.txt
in.nanobubble.txt
forcefield.input.txt
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