hello, I want to use LAMMPS with GPU on ubuntu 2020.04, but I am having some problems.
Ubuntu Desktop 2020.04
LAMMPS: the latest （by git clone）
I built LAMMPS as follows:
make lib-gpu args="-b" -j
cmake -D PKG_MANYBODY=yes -D BUILD_OMP=yes -D PKG_GPU=on -D GPU_API=cuda …/cmake/
make install -j
1-4 is successful. but when I use LAMMPS with GPU, there is some error （“lmp -in lmp.in” is OK）
Can you see what is the result if you make ./nvc_get_devices in ~/lammps/lib/gpu?
El El lun, 8 de junio de 2020 a la(s) 16:48, yuh ldr <[email protected]…24…> escribió:
please check with nvc_get_devices (in the build folder) what your GPU hardware platform is. most likely not sm_50.
and try to configure/compile with setting that for the GPU_ARCH variable (sm_50 is the default).
we are trying to build “fat” binaries, but i suspect some objects are escaping that process currently.
build/nvc_get_devices，but I don’t know which GPU_ARCH I should choose
Axel Kohlmeyer <[email protected]> 于2020年6月9日周二 上午4:03写道：
you have “Compute capability 6.1” that means you should set:
please see the manual: https://lammps.sandia.gov/doc/Build_extras.html#gpu
also, if you use CMake, you don’t need to do anything in lib/gpu (which is also explained in the manual).
sorry, cmake … 、make -j 、make install -j, there is still the same error.
Axel Kohlmeyer <[email protected]> 于2020年6月9日周二 上午4:47写道：