Dear All,
I have recently shifted to the cray platform and tried installing the GPU library with gcc/10.1.0. I am getting the following error:
Path : /software/lammps-29Oct20/lib/gpu> make -f Makefile.linux
CC -DMPI -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 -fPIC -std=c++11 -O2 -DLAMMPS_SMALLBIG -D_SINGLE_DOUBLE -I/opt/nvidia/cudatoolkit10.2/10.2.89_3.28-7.0.2.1_2.19__g52c0314/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::string)’:
lal_neighbor_shared.cpp:59:31: error: ‘neighbor_cpu’ was not declared in this scope
59 | nbor_program->load_string(neighbor_cpu,flags.c_str());^~~~~~~~~~~~
lal_neighbor_shared.cpp:63:32: error: ‘neighbor_gpu’ was not declared in this scope
63 | build_program->load_string(neighbor_gpu,flags.c_str());
^~~~~~~~~~~~
make: *** [Nvidia.makefile:198: lal_neighbor_shared.o] Error 1
Additionally, kindly let me know if any of you have come across any online content which explains the step by step LAMMPS installation with GPU on Cray XC50.