[QE-users] [QE-GPU] configure error

[Fabrizio Ferrari]

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 <azeeshan at uchicago.edu> 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)
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