I am trying to build LAMMPS with Kokkos for HOPPER90. However, I am running compilation errors, with nvc as well as with gcc.
With g++13.1.0 I am getting the error:
extern _Float32 modff32 (_Float32 __x, _Float32 *__iptr) noexcept (true); extern _Float32 __modff32 (_Float32 __x, _Float32 *__iptr) noexcept (true) __attribute__ ((__nonnull__ (2)));
Error limit reached.
100 errors detected in the compilation of "/home/gjost/LAMMPS/lammps/lib/kokkos/core/src/impl/Kokkos_CPUDiscovery.cpp".
With nvc++ 23.7.0 I am getting the error:
"/home/gjost/LAMMPS/lammps/lib/kokkos/core/src/../../tpls/desul/include/desul/atomics/CUDA.hpp", line 522: error: function "desul::atomic_fetch_max(long *, long, desul::MemoryOrderRelaxed, desul::MemoryScopeDevice)" has already been defined
__device__ inline long atomic_fetch_max(long* const dest,
^
"/home/gjost/LAMMPS/lammps/lib/kokkos/core/src/../../tpls/desul/include/desul/atomics/CUDA.hpp", line 529: error: function "desul::atomic_fetch_min(long *, long, desul::MemoryOrderRelaxed, desul::MemoryScopeDevice)" has already been defined
__device__ inline long atomic_fetch_min(long* const dest,
^
For MPI I am using the OpenMP that comes with nvhpc/23.7.
Is there a recommended compiler/version that I should be using for the LAMMPS GraceHopper build?
I using the following LAMMPS commit:
commit ce756540e8615b6f7c1c1242695172b502834b19
Thanks in advance and greetings, Gabriele