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

[Zeeshan Ahmad]

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

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