Hello, it seems it does not find the math libraries. You need to locate the path with libcublas.so and libcufft.so too. Cheers, Fabrizio
On Thu, Mar 11, 2021 at 9:03 PM Zeeshan Ahmad <[email protected]> wrote: > Hi, > > I am trying to install quantum espresso 6.7-gpu for V100 gpu using the > configure command: > > > export CUDADIR=/opt/packages/pgi/20.11/Linux_x86_64/20.11/cuda > > ./configure CC=pgcc F77=pgf90 F90=pgf90 FC=pgf90 MPIF90=mpif90 > --with-cuda=$CUDADIR --with-cuda-runtime=11.1 --with-cuda-cc=70 > --enable-openmp --with-scalapack=no LIBS="-L$CUDADIR/lib64/stubs/ > -L$CUDADIR/lib64/“ > > The $CUDADIR/lib64/stubs directory contains libcuda.so but I still get the > following error (cuInit missing?): > > checking build system type... x86_64-pc-linux-gnu > checking ARCH... x86_64 > checking setting AR... ... ar > checking setting ARFLAGS... ... ruv > checking whether the Fortran compiler works... yes > checking for Fortran compiler default output file name... a.out > checking for suffix of executables... > checking whether we are cross compiling... no > checking for suffix of object files... o > checking whether we are using the GNU Fortran compiler... no > checking whether pgf90 accepts -g... yes > configure: WARNING: F90 value is set to be consistent with value of MPIF90 > checking for mpif90... mpif90 > checking whether we are using the GNU Fortran compiler... no > checking whether mpif90 accepts -g... yes > checking version of mpif90... nvfortran 20.11-0 > checking for Fortran flag to compile .f90 files... none > setting F90... nvfortran > setting MPIF90... mpif90 > checking whether we are using the GNU C compiler... yes > checking whether pgcc accepts -g... yes > checking for pgcc option to accept ISO C89... none needed > setting CC... pgcc > setting CFLAGS... -fast -Mpreprocess > using F90... nvfortran > setting FFLAGS... -O1 > setting F90FLAGS... $(FFLAGS) > setting FFLAGS_NOOPT... -O0 > setting CPP... cpp > setting CPPFLAGS... -P -traditional -Uvector > setting LD... mpif90 > setting LDFLAGS... > checking for Fortran flag to compile .f90 files... (cached) none > checking whether Fortran compiler accepts -Mcuda=cuda11.1... yes > checking for nvcc... > /opt/packages/pgi/20.11/Linux_x86_64/20.11/compilers/bin/nvcc > checking whether nvcc works... yes > checking for cuInit in -lcuda... no > configure: error: in > `/ocean/projects/phy200043p/azeeshan/software/qe/6.7-gpu': > configure: error: Couldn't find libcuda > See `config.log' for more details > > > > > > -- > Zeeshan Ahmad > Postdoctoral Researcher > Pritzker School of Molecular Engineering > University of Chicago > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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