installing lammps with gpu lib problem

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1

Dear LAMMPS community,

After many years using Lammps as a muggle CPU user, I decided to try to use some GPUs.

Reading manual I realized I need to install first gpu library and then proceed from there. However, when I try installing it using for example make file provided in the link it fails.

http://lammps.sandia.gov/threads/msg36437.html

I have GeForce 645 NVIDIA card, successfully installed NVIDIA drivers and run the examples(samples).

Here is the error message:

make -f Makefile.linux_cuda
mpic++ -D
…
mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK -O2 -D_SINGLE_SINGLE -I/usr/local/cuda/include -DUSE_CUDPP -Icudpp_mini -o lal_neighbor_shared.o -c lal_neighbor_shared.cpp -I./
lal_neighbor_shared.cpp: In member function ‘void LAMMPS_AL::NeighborShared::compile_kernels(ucl_cudadr::UCL_Device&, int, std::__cxx11::string)’:
lal_neighbor_shared.cpp:59:31: error: ‘neighbor_cpu’ was not declared in this scope
nbor_program->load_string(neighbor_cpu,flags.c_str());
^
lal_neighbor_shared.cpp:63:32: error: ‘neighbor_gpu’ was not declared in this scope
build_program->load_string(neighbor_gpu,flags.c_str());
^
Nvidia.makefile:182: recipe for target ‘lal_neighbor_shared.o’ failed
make: *** [lal_neighbor_shared.o] Error 1

I have succesful mpi libraries as well.
mpicc -v
mpicc for MPICH2 version 1.4.1p1
…

Do you guys have any suggestions of where should I look for the answer?

Thanks,

Vasilii.

2

Dear LAMMPS community,

After many years using Lammps as a muggle CPU user, I decided to try to use
some GPUs.

Reading manual I realized I need to install first gpu library and then
proceed from there. However, when I try installing it using for example make
file provided in the link it fails.

http://lammps.sandia.gov/threads/msg36437.html

the e-mail in this link is over 3 years old. LAMMPS keeps changing and
improving continuously.
how about trying to use the makefiles that are bundled with LAMMPS and
follow the instructions in the LAMMPS documentation and the README
file in lib/gpu ?

axel.

3

Hi Axel,

Thanks for your help.

The same thing happens with the other Makefiles.
I think its the problem with my computer and the linked object lal_neighbor_shared.o.
I don’t know how to fix it though.

Vasilii.

4

Hi Axel,

Thanks for your help.

The same thing happens with the other Makefiles.
I think its the problem with my computer and the linked object lal_neighbor_shared.o.
I don’t know how to fix it though.

it works fine for me with gcc 4.9.3 and CUDA 7.5 on Fedora Linux x86_64.

since i am no psychic, i cannot tell you what would be wrong with your computer.

axel.