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 |
config.log
Description: Binary data
-- Zeeshan Ahmad Postdoctoral Researcher Pritzker School of Molecular Engineering University of Chicago |
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