[CP2K-user] [CP2K:17965] Re: cudaErrorStubLibrary runtime error in CP2K

[Ole Schütt]

Hi Amit,

if you are getting cudaErrorStubLibrary then the app failed to load the 
real driver. Presumably your local admin can help with this. See also the 
CUDA docs 
<https://docs.nvidia.com/cuda/cuda-runtime-api/group__CUDART__TYPES.html#group__CUDART__TYPES_1g3f51e3575c2178246db0a94a430e0038>
:

   cudaErrorStubLibrary = 34 This indicates that the CUDA driver that the 
application has loaded is a stub library. Applications that run with the 
stub rather than a real driver loaded will result in CUDA API returning 
this error. 

-Ole

On Sunday, October 30, 2022 at 9:59:11 PM UTC+1 Amit Gupta wrote:

> Hi,
> I compiled a CUDA compatible version of CP2K, but when I submit my jobs, I 
> get the following error:
> --------------------------------------------------------------------------
> ERROR: cudaErrorStubLibrary 
> /scratch/ag9288/softwares/cp2k-2022.2/src/offload/offload_library.c 49
> forrtl: error (76): Abort trap signal
> Image              PC                Routine            Line        Source 
>             
> cp2k.psmp          0000000006B83CAB  Unknown               Unknown  Unknown
> libpthread-2.28.s  000014D73245EB20  Unknown               Unknown  Unknown
> libc-2.28.so       000014D712D4037F  gsignal               Unknown 
>  Unknown
> libc-2.28.so       000014D712D2ADB5  abort                 Unknown 
>  Unknown
> cp2k.psmp          00000000031F8C29  offload_get_devic          49 
>  offload_library.c
> cp2k.psmp          0000000001387F46  f77_interface_mp_         276 
>  f77_interface.F
> cp2k.psmp          000000000042281D  MAIN__                    284  cp2k.F
> cp2k.psmp          0000000006BED096  Unknown               Unknown  Unknown
> libc-2.28.so       000014D712D2C493  __libc_start_main     Unknown 
>  Unknown
> cp2k.psmp          000000000042195E  Unknown               Unknown  Unknown
> --------------------------------------------------------------------------
>
> It looks like the executable is unable to find the card, while all the 
> libraries are correctly loaded.
>
> Version: 
> Intel fortran: 19.1
> cuda : 11.3
> openmpi 4.1.1
> CP2K: 2022.2
>
> Steps I took to build the binary:
> 1. Install the toolchain:
> ./install_cp2k_toolchain.sh --with-intel=system --enable-cuda 
> --gpu-ver=V100  --with-openmpi=system  --with-libxc=install 
> --with-libint=install --with-fftw=install --with-mkl=system 
> --with-libxsmm=install  --with-elpa=install   --with-ptscotch=no   
> --with-superlu=no    --with-pexsi=no      --with-quip=no       
> --with-plumed=no    --with-sirius=no     --with-gsl=no       
>  --with-libvdwxc=no   --with-spglib=no    --with-hdf5=no    --with-spfft=no 
>      --with-spla=install   --with-cosma=install  --with-libvori=no 
> --with-openblas=no -j4
>
> 2. Manualy build and copy Libint, for the fortran makefile bug:
> https://github.com/cp2k/libint-cp2k/releases
> cmake -DCMAKE_C_COMPILER=icc -DCMAKE_C_FLAGS="-qopenmp -O2" 
> -DCMAKE_CXX_COMPILER=icpc -DCMAKE_CXX_FLAGS="-qopenmp -O2" 
> -DCMAKE_Fortran_COMPILER=ifort -DCMAKE_Fortran_FLAGS="-qopenmp -O2" 
> -DREQUIRE_CXX_API=OFF -DENABLE_FORTRAN=ON ..
>
> 3. Apply required CUDA patch to CP2K and compile:
> https://github.com/cp2k/cp2k/commit/ee6c3aa.patch
>  make -j 4 ARCH=local_cuda VERSION="ssmp sdbg psmp pdbg"
>
> PS: The job-node is different from the compile node, could that might be 
> an issue? Also while the compilation went fine, there was an error in 
> symlinking the binaries.
>

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