Sorry for my mistake to give these information
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 ([email protected]...)
(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
thank for your help
Sorry for my mistake to give these information
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 ([email protected]...)
(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
thank for your help
thanks for providing this information and i can confirm your issue
with the latest development sources on my desktop.
unfortunately, i don't see an obvious fix. this will need some careful
debugging by an expert in programming the GPU package and some time.
thanks for reporting the issue and sending the input deck. Please apply the attached patch to the LAMMPS directory (at the same level with src/, lib/, etc.):
patch -p1 < hybrid-3body.diff
Then, go to lib/gpu:
make -f Makefile.your_machine veryclean
make -f Makefile.your_machine -j4
Go to src/:
make package-update
make your_machine
Let me know if this patch resolves the issue you got. If so, I will submit a pull request on github.
and can now complete that simulation without a problem. i'll be
including the changes (and i've removed some dead code that the
compiler warned about in lal_sw.cu) in lammps-icms now.