GROMACS version: 2025.1
GROMACS modification: No
Hi,
Here is my cmake command:
cmake .. -DGMX_GPU=CUDA -DGMX_CUDA_TARGET_SM=86 -DCMAKE_INSTALL_PREFIX=/cryo/gromacs/2025.1
All seems well until I get the error message:
[100%] Building CXX object src/testutils/CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o
/usr/bin/ld: ../../lib/libgromacs.so.10.0.0: undefined reference to __cudaLaunchKernel' /usr/bin/ld: ../../lib/libgromacs.so.10.0.0: undefined reference to cudaGetDeviceProperties_v2’
/usr/bin/ld: ../../lib/libgromacs.so.10.0.0: undefined reference to `__cudaGetKernel’
collect2: error: ld returned 1 exit status
make[2]: *** [src/programs/CMakeFiles/gmx.dir/build.make:96: bin/gmx] Error 1
make[1]: *** [CMakeFiles/Makefile2:8101: src/programs/CMakeFiles/gmx.dir/all] Error 2
make[1]: *** Waiting for unfinished jobs…
[100%] Linking CXX shared library ../../lib/libgmxapi.so
[100%] Built target gmxapi
[100%] Linking CXX shared library ../../lib/libtestutils.so
[100%] Built target testutils
[100%] Linking CXX shared library ../../lib/libnblib_gmx.so
[100%] Built target nblib
make: *** [Makefile:166: all] Error 2
Any advice on how to fix this would be most appreciated. Thank you in advance!