If you have "modules", you may try this: /opt/nvidia/hpc_sdk/modulefiles/nvhpc/21.3
Paolo On Fri, Apr 16, 2021 at 10:33 AM Giovanni Cantele < giovanni.cant...@spin.cnr.it> wrote: > Thank you, I’m working with your input variables and the latest > DEVELOPMENT version downloaded yesterday. > > There should be something wrong with configure. The error I’m facing is > configure: error: in `/home/cantele/q-e-develop': > configure: error: Couldn't find libcuda > See `config.log' for more details > > If I look within config.log it tries to make the following compilation: > pgcc -o conftest -g -O2 conftest.c > -lcuda -L/opt/nvidia/hpc_sdk/Linux_x86_64/21.3/cuda/11.2/lib64 -lcuda > -lcudart -lcublas -lcufft >&5 > > And indeed, at the end, the summary of the variables reports, among the > others: > CUDA_LDLIBS=' -L/opt/nvidia/hpc_sdk/Linux_x86_64/21.3/cuda/11.2/lib64 > -lcuda -lcudart -lcublas -lcufft’ > > However, /opt/nvidia/hpc_sdk/Linux_x86_64/21.3/cuda/11.2/lib64 does NOT > contain libcufft, libcublas but only libcudart. The former are > within /opt/nvidia/hpc_sdk/Linux_x86_64/21.3/REDIST/math_libs/11.2/lib64/ > but it seems that configure does not look through all the directories > in LD_LIBRARY_PATH. > > Is that possible? > > Thanks in any case, I’ll let you know if I manage to solve those issues. > > Giovanni > > On 15 Apr 2021, at 22:22, Paolo Giannozzi <p.gianno...@gmail.com> wrote: > > This is what I have used, with some success. If you do not have MKL > libraries, you should get > BLAS_LIBS=-llapack -lblas > or something like that > > Paolo > > On Thu, Apr 15, 2021 at 5:27 PM Giovanni Cantele < > giovanni.cant...@spin.cnr.it> wrote: > >> I downloaded the latest development version. Could you share the needed >> configure options and environment variables that allowed you to get a clean >> compilation? >> >> Thank you again, >> >> Giovanni >> >> On 15 Apr 2021, at 14:50, Giovanni Cantele <giovanni.cant...@spin.cnr.it> >> wrote: >> >> It was the lates stable (qe-6.7-ReleasePack.tgz). >> >> Where can I find the all needed environment variables? >> >> Thanks, >> >> Giovanni >> >> On 15 Apr 2021, at 14:44, Paolo Giannozzi <p.gianno...@gmail.com> wrote: >> >> On Thu, Apr 15, 2021 at 2:01 PM Giovanni Cantele < >> giovanni.cant...@spin.cnr.it> wrote: >> >> I’m trying to compile the latest QE version >>> >> >> "latest stable" or "latest development"? GPU support is work in progress >> (or maybe "in regress"): don't count on the stable version to support the >> latest compiler. >> >> I can tell you for sure that with a correct nvidia hpc_sdk 21.3 >> installation + all needed environment variables defined + all needed >> configure options (+ MKL libraries: I don't trust too much blas and lapack >> from the nvidia compiler) the latest development version compiles and works. >> >> Paolo >> -- >> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, >> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy >> Phone +39-0432-558216, fax +39-0432-558222 >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 206, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > <cuda.txt>_______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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