<div dir="ltr"><div>Dear
Louis and Pietro,</div><div><br></div><div><b>With the config options as following:</b></div><div><b><br></b></div><div><b>./configure FC=pgf90 F90=pgf90 CC=pgcc --with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.0 --with-cuda-runtime=11.0 --with-cuda-cc=70 --enable-openmp --with-scalapack=no</b></div><div><b><br></b></div><div><b>results is:</b></div><div><br></div><div>checking build system type... x86_64-pc-linux-gnu<br>checking ARCH... x86_64<br>checking setting AR... ... ar<br>checking setting ARFLAGS... ... ruv<br>checking whether the Fortran compiler works... yes<br>checking for Fortran compiler default output file name... a.out<br>checking for suffix of executables...<br>checking whether we are cross compiling... no<br>checking for suffix of object files... o<br>checking whether we are using the GNU Fortran compiler... no<br>checking whether pgf90 accepts -g... yes<br>configure: WARNING: F90 value is set to be consistent with value of MPIF90<br>checking for mpiifort... no<br>checking for mpif90... mpif90<br>checking whether we are using the GNU Fortran compiler... no<br>checking whether mpif90 accepts -g... yes<br>checking version of mpif90... nvfortran 20.11-0<br>checking for Fortran flag to compile .f90 files... none<br>setting F90... nvfortran<br>setting MPIF90... mpif90<br>checking whether we are using the GNU C compiler... yes<br>checking whether pgcc accepts -g... yes<br>checking for pgcc option to accept ISO C89... none needed<br>setting CC... pgcc<br>setting CFLAGS... -fast -Mpreprocess<br>using F90... nvfortran<br>setting FFLAGS... -O1<br>setting F90FLAGS... $(FFLAGS)<br>setting FFLAGS_NOOPT... -O0<br>setting CPP... cpp<br>setting CPPFLAGS... -P -traditional -Uvector<br>setting LD... mpif90<br>setting LDFLAGS...<br>checking for Fortran flag to compile .f90 files... (cached) none<br>checking whether Fortran compiler accepts -Mcuda=cuda11.0... yes<br>checking for nvcc... /opt/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/bin/nvcc<br>checking whether nvcc works... yes<br>checking for cuInit in -lcuda... no<br>configure: error: in `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7':<br>configure: error: Couldn't find libcuda<br>See `config.log' for more details</div><div><br></div><div><b>Although the option --enable-cuda-env-check=no resulted in the configuration finished:</b></div><div><b><br></b></div><div><b>./configure FC=pgf90 F90=pgf90 CC=pgcc --with-cuda=yes --enable-cuda-env-check=no --with-cuda-runtime=11.0 --with-cuda-cc=70 --enable-openmp --with-scalapack=no</b></div><div><br></div><div>checking build system type... x86_64-pc-linux-gnu<br>checking ARCH... x86_64<br>checking setting AR... ... ar<br>checking setting ARFLAGS... ... ruv<br>checking whether the Fortran compiler works... yes<br>checking for Fortran compiler default output file name... a.out<br>checking for suffix of executables...<br>checking whether we are cross compiling... no<br>checking for suffix of object files... o<br>checking whether we are using the GNU Fortran compiler... no<br>checking whether pgf90 accepts -g... yes<br>configure: WARNING: F90 value is set to be consistent with value of MPIF90<br>checking for mpiifort... no<br>checking for mpif90... mpif90<br>checking whether we are using the GNU Fortran compiler... no<br>checking whether mpif90 accepts -g... yes<br>checking version of mpif90... nvfortran 20.11-0<br>checking for Fortran flag to compile .f90 files... none<br>setting F90... nvfortran<br>setting MPIF90... mpif90<br>checking whether we are using the GNU C compiler... yes<br>checking whether pgcc accepts -g... yes<br>checking for pgcc option to accept ISO C89... none needed<br>setting CC... pgcc<br>setting CFLAGS... -fast -Mpreprocess<br>using F90... nvfortran<br>setting FFLAGS... -O1<br>setting F90FLAGS... $(FFLAGS)<br>setting FFLAGS_NOOPT... -O0<br>setting CPP... cpp<br>setting CPPFLAGS... -P -traditional -Uvector<br>setting LD... mpif90<br>setting LDFLAGS...<br>checking for Fortran flag to compile .f90 files... (cached) none<br>checking whether Fortran compiler accepts -Mcuda=cuda11.0... yes<br>checking for /usr/local/cuda/... no<br>checking for /usr/local/cuda/include... no<br>checking for /usr/local/cuda/lib64... no<br>checking for nvcc... /opt/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/bin/nvcc<br>checking whether nvcc works... yes<br>checking for cusolverDnZhegvdx_bufferSize in -lcusolver... no<br>configure: WARNING: Using legacy custom solver.<br>checking whether make sets $(MAKE)... yes<br>checking whether Fortran files must be preprocessed... yes<br>checking whether we are using the GNU Fortran 77 compiler... no<br>checking whether nvfortran accepts -g... yes<br>checking for library containing dgemm... no<br>MKL not found<br>in /opt/intel/mkl/lib/intel64: checking for library containing dgemm... -lmkl_intel_lp64<br>setting BLAS_LIBS... -L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core<br>checking FFT...<br>checking MASS...<br>checking for library containing mpi_init... none required<br>checking ELPA...<br>checking BEEF... -lbeef<br>setting BEEF_LIBS... $(TOPDIR)/LIBBEEF/libbeef.a<br>checking for ranlib... ranlib<br>checking for wget... wget -O<br>setting WGET... wget -O<br>setting DFLAGS... -D__CUDA -D__DFTI -D__MPI<br>setting IFLAGS... -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude -I/opt/intel/mkl/include<br>configure: creating ./config.status<br>config.status: creating install/make_lapack.inc<br>config.status: creating include/configure.h<br>config.status: creating make.inc<br>config.status: creating configure.msg<br>config.status: creating install/make_wannier90.inc<br>config.status: creating include/qe_cdefs.h<br>--------------------------------------------------------------------<br>ESPRESSO can take advantage of several optimized numerical libraries<br>(essl, fftw, mkl...). This configure script attempts to find them,<br>but may fail if they have been installed in non-standard locations.<br>If a required library is not found, the local copy will be compiled.<br><br>The following libraries have been found:<br> BLAS_LIBS=-L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core<br> LAPACK_LIBS=<br> FFT_LIBS=<br><br>Please check if this is what you expect.<br><br>If any libraries are missing, you may specify a list of directories<br>to search and retry, as follows:<br> ./configure LIBDIRS="list of directories, separated by spaces"<br><br>Parallel environment detected successfully.\<br>Configured for compilation of parallel executables.<br><br>For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).<br>--------------------------------------------------------------------<br>configure: success</div><div><br></div><div><b>make pw results in:</b></div><div><br></div><div>....</div><div>.....</div><div>....</div><div>cpp -P -traditional -Uvector -D__CUDA -D__DFTI -D__MPI -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//include -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//FoX/finclude -I/opt/intel/mkl/include thread_util.f90 -o thread_util_tmp.f90 ; \<br> mpif90 -O1 -D__CUDA -D__DFTI -D__MPI -Mcuda=cc70,cuda11.0 -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//external/devxlib/src -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//external/devxlib/include -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//EIGENSOLVER_GPU/lib_eigsolve -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//external/devxlib/src -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//include -I/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7//FoX/finclude -I/opt/intel/mkl/include -I. -c thread_util_tmp.f90 -o thread_util.o<br>ar ruv libutil.a clocks_handler.o device_helper.o divide.o data_buffer.o error_handler.o export_gstart_2_solvers.o find_free_unit.o fletcher32_mod.o mem_counter.o mp.o mp_base.o mp_base_gpu.o mp_bands_util.o parallel_include.o set_mpi_comm_4_solvers.o util_param.o thread_util.o<br>ar: creating libutil.a<br>a - clocks_handler.o<br>a - device_helper.o<br>a - divide.o<br>a - data_buffer.o<br>a - error_handler.o<br>a - export_gstart_2_solvers.o<br>a - find_free_unit.o<br>a - fletcher32_mod.o<br>a - mem_counter.o<br>a - mp.o<br>a - mp_base.o<br>a - mp_base_gpu.o<br>a - mp_bands_util.o<br>a - parallel_include.o<br>a - set_mpi_comm_4_solvers.o<br>a - util_param.o<br>a - thread_util.o<br>ranlib libutil.a<br>make[1]: Leaving directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/UtilXlib'<br>cd install ; make -f extlibs_makefile liblapack<br>make[1]: Entering directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/install'<br>make[1]: Nothing to be done for `liblapack'.<br>make[1]: Leaving directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/install'<br>cd install ; make -f extlibs_makefile libcuda<br>make[1]: Entering directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/install'<br>cd ../external/devxlib; \<br> if test ! -e configure; then \<br> wget "<a href="https://gitlab.com/max-centre/components/devicexlib/-/archive/master/devicexlib-master.tar.gz" target="_blank">https://gitlab.com/max-centre/components/devicexlib/-/archive/master/devicexlib-master.tar.gz</a>" -O devxlib.tar.gz || curl "<a href="https://gitlab.com/max-centre/components/devicexlib/-/archive/master/devicexlib-master.tar.gz" target="_blank">https://gitlab.com/max-centre/components/devicexlib/-/archive/master/devicexlib-master.tar.gz</a>" -o devxlib.tar.gz ; \<br> tar xzf devxlib.tar.gz --strip-components=1 -C . ; \<br> rm devxlib.tar.gz ; \<br> fi; \<br> touch make.inc; \<br> make clean; \<br> export F90FLAGS=""; \<br> ./configure FC=nvfortran CC=pgcc \<br> --with-cuda= \<br> --with-cuda-cc=70 \<br> --with-cuda-runtime=11.0 \<br> --disable-parallel \<br> --enable-cuda-env-check=no; \<br> make all<br>--2020-12-19 09:29:12-- <a href="https://gitlab.com/max-centre/components/devicexlib/-/archive/master/devicexlib-master.tar.gz" target="_blank">https://gitlab.com/max-centre/components/devicexlib/-/archive/master/devicexlib-master.tar.gz</a><br>Resolving <a href="http://gitlab.com" target="_blank">gitlab.com</a> (<a href="http://gitlab.com" target="_blank">gitlab.com</a>)... 172.65.251.78, 2606:4700:90:0:f22e:fbec:5bed:a9b9<br>Connecting to <a href="http://gitlab.com" target="_blank">gitlab.com</a> (<a href="http://gitlab.com" target="_blank">gitlab.com</a>)|172.65.251.78|:443... connected.<br>HTTP request sent, awaiting response... 403 Forbidden<br>2020-12-19 09:29:23 ERROR 403: Forbidden.<br><br> % Total % Received % Xferd Average Speed Time Time Time Current<br> Dload Upload Total Spent Left Speed<br>100 16 100 16 0 0 27 0 --:--:-- --:--:-- --:--:-- 27<br><br>gzip: stdin: not in gzip format<br>tar: Child returned status 1<br>tar: Error is not recoverable: exiting now<br>make[2]: Entering directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/external/devxlib'<br>make[2]: *** No rule to make target `clean'. Stop.<br>make[2]: Leaving directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/external/devxlib'<br>/bin/sh: line 9: ./configure: No such file or directory<br>make[2]: Entering directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/external/devxlib'<br>make[2]: *** No rule to make target `all'. Stop.<br>make[2]: Leaving directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/external/devxlib'<br>make[1]: *** [libcuda_devxlib] Error 2<br>make[1]: Leaving directory `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7/install'<br>make: *** [libcuda] Error 2</div><div><br></div><div><b>Moreover, "which libcuda.so" results in:</b></div><div><b><br></b></div><div>/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.0/lib64/stubs/libcuda.so</div><div><b><br></b></div><div><b>Any help will be greatly appreciated.</b></div><div><b><br></b></div><div><b>Best regards,</b></div><div><b><br></b></div><div><b>Mohammad</b></div><div><b>ShirazU</b><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Dec 16, 2020 at 5:08 PM Pietro Bonfa' <<a href="mailto:pietro.bonfa@unipr.it" target="_blank">pietro.bonfa@unipr.it</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">Dear Mohammad,<br>
<br>
CUDA may be installed somewhere else, anyway, if you want to skip the <br>
environment check, you may configure QE with this command<br>
<br>
./configure FC=pgf90 F90=pgf90 CC=pgcc --with-cuda=yes <br>
--enable-cuda-env-check=no --with-cuda-runtime=SETME --with-cuda-cc=70 <br>
--enable-openmp<br>
<br>
Remember to set the cuda runtime according to what is provided by your <br>
setup.<br>
<br>
Hope this helps,<br>
best,<br>
Pietro<br>
<br>
---<br>
Pietro Bonfà<br>
University of Parma<br>
<br>
<br>
On 12/16/20 9:10 AM, Mohammad Moaddeli wrote:<br>
> Dear all,<br>
> I am trying to compile the 6.7 version of the code using PGI 2020.<br>
> I followed these steps:<br>
> <br>
> *1) NVIDIA driver (NVIDIA-Linux-x86_64-450.80.02.rpm) is installed.*<br>
> *the output of nvidia-smi:*<br>
> <br>
> Wed Dec 16 09:07:11 2020<br>
> +-----------------------------------------------------------------------------+<br>
> | NVIDIA-SMI 450.80.02 Driver Version: 450.80.02 CUDA Version: <br>
> 11.0 |<br>
> |-------------------------------+----------------------+----------------------+<br>
> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile <br>
> Uncorr. ECC |<br>
> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util <br>
> Compute M. |<br>
> | | | <br>
> MIG M. |<br>
> |===============================+======================+======================|<br>
> | 0 TITAN V Off | 00000000:06:00.0 Off | <br>
> N/A |<br>
> | 27% 37C P0 32W / 250W | 0MiB / 12066MiB | 0% <br>
> Default |<br>
> | | | <br>
> N/A |<br>
> +-------------------------------+----------------------+----------------------+<br>
> | 1 TITAN V Off | 00000000:07:00.0 Off | <br>
> N/A |<br>
> | 25% 37C P0 35W / 250W | 0MiB / 12066MiB | 0% <br>
> Default |<br>
> | | | <br>
> N/A |<br>
> +-------------------------------+----------------------+----------------------+<br>
> <br>
> +-----------------------------------------------------------------------------+<br>
> | Processes: <br>
> |<br>
> | GPU GI CI PID Type Process name GPU <br>
> Memory |<br>
> | ID ID Usage <br>
> |<br>
> |=============================================================================|<br>
> | No running processes found <br>
> |<br>
> +-----------------------------------------------------------------------------+<br>
> <br>
> *The output of pgaccelinfo:*<br>
> <br>
> CUDA Driver Version: 11000<br>
> NVRM version: NVIDIA UNIX x86_64 Kernel Module <br>
> 450.80.02 Wed Sep 23 01:13:39 UTC 2020<br>
> <br>
> Device Number: 0<br>
> Device Name: TITAN V<br>
> Device Revision Number: 7.0<br>
> Global Memory Size: 12652838912<br>
> Number of Multiprocessors: 80<br>
> Concurrent Copy and Execution: Yes<br>
> Total Constant Memory: 65536<br>
> Total Shared Memory per Block: 49152<br>
> Registers per Block: 65536<br>
> Warp Size: 32<br>
> Maximum Threads per Block: 1024<br>
> Maximum Block Dimensions: 1024, 1024, 64<br>
> Maximum Grid Dimensions: 2147483647 x 65535 x 65535<br>
> Maximum Memory Pitch: 2147483647B<br>
> Texture Alignment: 512B<br>
> Clock Rate: 1455 MHz<br>
> Execution Timeout: No<br>
> Integrated Device: No<br>
> Can Map Host Memory: Yes<br>
> Compute Mode: default<br>
> Concurrent Kernels: Yes<br>
> ECC Enabled: No<br>
> Memory Clock Rate: 850 MHz<br>
> Memory Bus Width: 3072 bits<br>
> L2 Cache Size: 4718592 bytes<br>
> Max Threads Per SMP: 2048<br>
> Async Engines: 7<br>
> Unified Addressing: Yes<br>
> Managed Memory: Yes<br>
> Concurrent Managed Memory: Yes<br>
> Preemption Supported: Yes<br>
> Cooperative Launch: Yes<br>
> Multi-Device: Yes<br>
> Default Target: cc70<br>
> <br>
> Device Number: 1<br>
> Device Name: TITAN V<br>
> Device Revision Number: 7.0<br>
> Global Memory Size: 12652838912<br>
> Number of Multiprocessors: 80<br>
> Concurrent Copy and Execution: Yes<br>
> Total Constant Memory: 65536<br>
> Total Shared Memory per Block: 49152<br>
> Registers per Block: 65536<br>
> Warp Size: 32<br>
> Maximum Threads per Block: 1024<br>
> Maximum Block Dimensions: 1024, 1024, 64<br>
> Maximum Grid Dimensions: 2147483647 x 65535 x 65535<br>
> Maximum Memory Pitch: 2147483647B<br>
> Texture Alignment: 512B<br>
> Clock Rate: 1455 MHz<br>
> Execution Timeout: No<br>
> Integrated Device: No<br>
> Can Map Host Memory: Yes<br>
> Compute Mode: default<br>
> Concurrent Kernels: Yes<br>
> ECC Enabled: No<br>
> Memory Clock Rate: 850 MHz<br>
> Memory Bus Width: 3072 bits<br>
> L2 Cache Size: 4718592 bytes<br>
> Max Threads Per SMP: 2048<br>
> Async Engines: 7<br>
> Unified Addressing: Yes<br>
> Managed Memory: Yes<br>
> Concurrent Managed Memory: Yes<br>
> Preemption Supported: Yes<br>
> Cooperative Launch: Yes<br>
> Multi-Device: Yes<br>
> Default Target: cc70<br>
> <br>
> *2) PGI compiler is installed:*<br>
> *yum install nvhpc-20-11-20.11-1.x86_64.rpm nvhpc-2020-20.11-1.x86_64.rpm<br>
> *<br>
> *PATHs that are set in ~/.bashrc file:<br>
> *<br>
> *<br>
> *<br>
> export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/bin:$PATH<br>
> export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/include:$PATH<br>
> export <br>
> LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/lib64:$LD_LIBRARY_PATH<br>
> export <br>
> LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/extras/CUPTI/lib64:$LD_LIBRARY_PATH<br>
> export <br>
> LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/11.1/lib64/stubs:$LD_LIBRARY_PATH<br>
> NVARCH=`uname -s`_`uname -m`; export NVARCH<br>
> NVCOMPILERS=/opt/nvidia/hpc_sdk; export NVCOMPILERS<br>
> MANPATH=$MANPATH:$NVCOMPILERS/$NVARCH/20.11/compilers/man; export MANPATH<br>
> PATH=$NVCOMPILERS/$NVARCH/20.11/compilers/bin:$PATH; export PATH<br>
> PATH=$NVCOMPILERS/$NVARCH/20.11/compilers/include:$PATH; export PATH<br>
> LD_LIBRARY_PATH=$NVCOMPILERS/$NVARCH/20.11/compilers/lib:$PATH; export <br>
> LD_LIBRARY_PATH<br>
> export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/bin:$PATH<br>
> export <br>
> PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/include:$PATH<br>
> export <br>
> LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/comm_libs/mpi/lib:$LD_LIBRARY_PATH<br>
> export <br>
> LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/math_libs/11.1/lib64:$LD_LIBRARY_PATH<br>
> export <br>
> LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/math_libs/11.1/lib64/stubs:$LD_LIBRARY_PATH*<br>
> *<br>
> *<br>
> *<br>
> *3) compiling the code using:*<br>
> *./configure FC=pgf90 F90=pgf90 F77=pgf90 CC=pgcc MPIF90=mpif90 <br>
> --with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda <br>
> --with-cuda-runtime=11.1 --with-cuda-cc=70 --enable-openmp <br>
> --with-scalapack=no*<br>
> <br>
> checking build system type... x86_64-pc-linux-gnu<br>
> checking ARCH... x86_64<br>
> checking setting AR... ... ar<br>
> checking setting ARFLAGS... ... ruv<br>
> checking whether the Fortran compiler works... yes<br>
> checking for Fortran compiler default output file name... a.out<br>
> checking for suffix of executables...<br>
> checking whether we are cross compiling... no<br>
> checking for suffix of object files... o<br>
> checking whether we are using the GNU Fortran compiler... no<br>
> checking whether pgf90 accepts -g... yes<br>
> configure: WARNING: F90 value is set to be consistent with value of MPIF90<br>
> checking for mpif90... mpif90<br>
> checking whether we are using the GNU Fortran compiler... no<br>
> checking whether mpif90 accepts -g... yes<br>
> checking version of mpif90... nvfortran 20.11-0<br>
> checking for Fortran flag to compile .f90 files... none<br>
> setting F90... nvfortran<br>
> setting MPIF90... mpif90<br>
> checking whether we are using the GNU C compiler... yes<br>
> checking whether pgcc accepts -g... yes<br>
> checking for pgcc option to accept ISO C89... none needed<br>
> setting CC... pgcc<br>
> setting CFLAGS... -fast -Mpreprocess<br>
> using F90... nvfortran<br>
> setting FFLAGS... -O1<br>
> setting F90FLAGS... $(FFLAGS)<br>
> setting FFLAGS_NOOPT... -O0<br>
> setting CPP... cpp<br>
> setting CPPFLAGS... -P -traditional -Uvector<br>
> setting LD... mpif90<br>
> setting LDFLAGS...<br>
> checking for Fortran flag to compile .f90 files... (cached) none<br>
> checking whether Fortran compiler accepts -Mcuda=cuda11.1... yes<br>
> checking for nvcc... <br>
> /opt/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/bin/nvcc<br>
> checking whether nvcc works... no<br>
> configure: WARNING: CUDA compiler has problems.<br>
> checking for cuInit in -lcuda... no<br>
> configure: error: in `/codes/qe_6.7_GPU/q-e-gpu-qe-gpu-6.7':<br>
> configure: error: Couldn't find libcuda<br>
> See `config.log' for more details*<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *Any Help will be greatly appreciated.*<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *<br>
> *P.S.*<br>
> *When I run nvcc in terminal, the following error appears:*<br>
> $ which nvcc<br>
> /opt/nvidia/hpc_sdk/Linux_x86_64/20.11/compilers/bin/nvcc<br>
> **<br>
> $ nvcc<br>
> nvcc-Error-CUDA version 10.2 was not installed with this HPC SDK: <br>
> /opt/nvidia/hpc_sdk/Linux_x86_64/20.11/cuda/10.2/bin<br>
> <br>
> <br>
> *Best,*<br>
> *Mohammad Moaddeli*<br>
> *Shiraz University*<br>
> **<br>
> **<br>
> <br>
> _______________________________________________<br>
> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
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_______________________________________________<br>
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