problem with hybrid sw and lj with GPU package #69

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akohlmey opened this Issue Jun 1, 2016 · 1 comment

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akohlmey commented Jun 1, 2016

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

@akohlmey akohlmey added the bug label Jun 1, 2016

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akohlmey Jun 1, 2016

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Confirmed on Fedora 23, x86_64, with cuda 7.5, gcc 4.9.3, nvidia driver 358.16

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akohlmey commented Jun 1, 2016

Confirmed on Fedora 23, x86_64, with cuda 7.5, gcc 4.9.3, nvidia driver 358.16

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