<div dir="ltr"><div>Hello,</div><div>it seems it does not find the math libraries. You need to locate the path with libcublas.so and libcufft.so too.</div><div>Cheers,</div><div>Fabrizio<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Mar 11, 2021 at 9:03 PM Zeeshan Ahmad <<a href="mailto:azeeshan@uchicago.edu">azeeshan@uchicago.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div style="overflow-wrap: break-word;"><div>Hi,</div><div><br></div><div>I am trying to install quantum espresso 6.7-gpu for V100 gpu using the configure command: </div><div><br></div><div>> export CUDADIR=<span style="font-family:Menlo;font-size:11px">/opt/packages/pgi/20.11/Linux_x86_64/20.11/cuda</span></div><div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo"><span style="font-variant-ligatures:no-common-ligatures">> ./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"><span style="font-variant-ligatures:no-common-ligatures"><br></span></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo">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"><br></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo"><div style="margin:0px;font-stretch:normal;line-height:normal"><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking build system type... x86_64-pc-linux-gnu</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking ARCH... x86_64</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking setting AR... ... ar</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking setting ARFLAGS... ... ruv</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether the Fortran compiler works... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for Fortran compiler default output file name... a.out</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for suffix of executables... </span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether we are cross compiling... no</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for suffix of object files... o</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether we are using the GNU Fortran compiler... no</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether pgf90 accepts -g... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">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"><span style="font-variant-ligatures:no-common-ligatures">checking for mpif90... mpif90</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether we are using the GNU Fortran compiler... no</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether mpif90 accepts -g... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking version of mpif90... nvfortran 20.11-0</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for Fortran flag to compile .f90 files... none</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting F90... nvfortran</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting MPIF90... mpif90</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether we are using the GNU C compiler... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether pgcc accepts -g... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for pgcc option to accept ISO C89... none needed</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting CC... pgcc</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting CFLAGS... -fast -Mpreprocess</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">using F90... nvfortran</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting FFLAGS... -O1</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting F90FLAGS... $(FFLAGS)</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting FFLAGS_NOOPT... -O0</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting CPP... cpp</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting CPPFLAGS... -P -traditional -Uvector</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting LD... mpif90</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">setting LDFLAGS...</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for Fortran flag to compile .f90 files... (cached) none</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking whether Fortran compiler accepts -Mcuda=cuda11.1... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">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"><span style="font-variant-ligatures:no-common-ligatures">checking whether nvcc works... yes</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">checking for cuInit in -lcuda... no</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">configure: error: in `/ocean/projects/phy200043p/azeeshan/software/qe/6.7-gpu':</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">configure: error: Couldn't find libcuda</span></div><div style="margin:0px;font-stretch:normal;line-height:normal"><span style="font-variant-ligatures:no-common-ligatures">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"><br></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo"><br></div><div style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo"><br></div><div><br></div><div></div></div><div style="overflow-wrap: break-word;"><div></div><br><div>
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none">--<br><span style="font-style:normal"><font size="1" face="Arial">Zeeshan Ahmad</font></span></div><div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><span style="font-style:normal"><font size="1" face="Arial">Postdoctoral Researcher<br>Pritzker School of Molecular Engineering<br>University of Chicago</font></span><br></div></div></div></div></div></div></div>
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