<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class="">Hi,</div><div class=""><br class=""></div><div class="">I am trying to install quantum espresso 6.7-gpu for V100 gpu using the configure command: </div><div class=""><br class=""></div><div class="">> export CUDADIR=<span style="font-family: Menlo; font-size: 11px;" class="">/opt/packages/pgi/20.11/Linux_x86_64/20.11/cuda</span></div><div class=""><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">> ./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/“</span></div></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""><br class=""></span></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class="">The $CUDADIR/lib64/stubs directory contains libcuda.so but I still get the following error (cuInit missing?):</div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><br class=""></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking build system type... x86_64-pc-linux-gnu</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking ARCH... x86_64</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking setting AR... ... ar</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking setting ARFLAGS... ... ruv</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether the Fortran compiler works... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for Fortran compiler default output file name... a.out</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for suffix of executables... </span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether we are cross compiling... no</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for suffix of object files... o</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether we are using the GNU Fortran compiler... no</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether pgf90 accepts -g... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">configure: WARNING: F90 value is set to be consistent with value of MPIF90</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for mpif90... mpif90</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether we are using the GNU Fortran compiler... no</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether mpif90 accepts -g... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking version of mpif90... nvfortran 20.11-0</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for Fortran flag to compile .f90 files... none</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting F90... nvfortran</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting MPIF90... mpif90</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether we are using the GNU C compiler... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether pgcc accepts -g... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for pgcc option to accept ISO C89... none needed</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting CC... pgcc</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting CFLAGS... -fast -Mpreprocess</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">using F90... nvfortran</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting FFLAGS... -O1</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting F90FLAGS... $(FFLAGS)</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting FFLAGS_NOOPT... -O0</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting CPP... cpp</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting CPPFLAGS... -P -traditional -Uvector</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting LD... mpif90</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">setting LDFLAGS...</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for Fortran flag to compile .f90 files... (cached) none</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether Fortran compiler accepts -Mcuda=cuda11.1... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for nvcc... /opt/packages/pgi/20.11/Linux_x86_64/20.11/compilers/bin/nvcc</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking whether nvcc works... yes</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">checking for cuInit in -lcuda... no</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">configure: error: in `/ocean/projects/phy200043p/azeeshan/software/qe/6.7-gpu':</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">configure: error: Couldn't find libcuda</span></div><div style="margin: 0px; font-stretch: normal; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">See `config.log' for more details</span></div></div></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><br class=""></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><br class=""></div><div style="margin: 0px; font-stretch: normal; font-size: 11px; line-height: normal; font-family: Menlo;" class=""><br class=""></div><div class=""><br class=""></div><div class=""></div></body></html>