[CP2K-user] [CP2K:14358] CP2K-7.1 Toolchain crash at ELPA instalation

[Krzysztof Kolman]

Hi Tiziano,

Thank you for your help! This time it worked :) I have one more question. 
After the compilation I performed the regression testing. In the beginning 
I got following message:

CP2K supports:  cp2kflags: omp libint fftw3 libxc acc pw_cuda xsmm 
dbcsr_acc spglib libvori libbqb grid_cuda
Skipping QS/regtest-cdft-hirshfeld-2 : missing required feature : parallel
Skipping QS/regtest-cdft-hirshfeld-2 : missing required feature : mpiranks>1
Skipping SIRIUS/regtest-1 : missing required feature : sirius
Skipping QS/regtest-elpa-2 : missing required feature : elpa
Skipping QMMM/QS/regtest-cdft : missing required feature : parallel
Skipping QMMM/QS/regtest-cdft : missing required feature : 
mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24
Skipping QS/regtest-rma : missing required feature : mpi3
Skipping QS/regtest-rma : missing required feature : mpiranks==4
Skipping QS/regtest-cdft-3 : missing required feature : parallel
Skipping QS/regtest-cdft-3 : missing required feature : 
mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24
Skipping QS/regtest-pexsi : missing required feature : pexsi
Skipping QS/regtest-rma-3D : missing required feature : mpi3
Skipping QS/regtest-rma-3D : missing required feature : mpiranks==8
Skipping TMC/regtest_ana_on_the_fly : missing required feature : parallel
Skipping TMC/regtest_ana_on_the_fly : missing required feature : mpiranks>2
Skipping TMC/regtest : missing required feature : parallel
Skipping TMC/regtest : missing required feature : mpiranks>1
Skipping QS/regtest-elpa-qr : missing required feature : elpa
Skipping TMC/regtest_ana_post_proc : missing required feature : parallel
Skipping TMC/regtest_ana_post_proc : missing required feature : mpiranks>1
Skipping QS/regtest-elpa : missing required feature : elpa
Skipping Fist/regtest-quip : missing required feature : quip
Skipping Fist/regtest-plumed2 : missing required feature : plumed2

Here it claims that ELPA and SIRIUS are missing. Do you know maybe why?

Best regards,
Krzysztof

On Wednesday, December 9, 2020 at 4:14:07 PM UTC+1 tiz... at chem.uzh.ch 
wrote:

> Hi Krzysztof,
>
> please use the latest git-master of CP2K if you want to try out a 
> CUDA-enabled ELPA. In that version you should not only be able to build 
> ELPA with support for a CUDA-kernel, but CP2K should actually be able to 
> use it.
>
> Best regards,
> Tiziano
>
>
> On 12/9/20 12:15 PM, Krzysztof Kolman wrote:
> > Hello,
> > 
> > I have encounter a problem while trying to compile cp2k at Ubuntu 20.04 
> > with CUDA support. When I use following toolchain command:
> > ./install_cp2k_toolchain.sh --with-libxsmm=install 
> > --with-openblas=install --with-fftw=install --with-reflapack=no 
> > --enable-cuda --enable-omp --gpu-ver=V100 --with-cmake=system 
> > --with-openmpi=install
> > 
> > I get such error:
> > ==================== Installing ELPA ====================
> > elpa-2019.05.001.tar.gz is found
> > Installing from scratch into 
> > /cp2k-7.1/tools/toolchain/install/elpa-2019.05.001
> > ERROR: (./scripts/install_elpa.sh, line 103) Non-zero exit code detected.
> > 
> > From the make.log located at /build/elpa-2019.05.00/obj_no_thread I can 
> > see that nvcc crashes:
> > nvcc fatal   : Unknown option 'Wl,-rpath'
> > 
> > Please find attached the make. log file as well as config.log and 
> > configure.log located at /build/elpa-2019.05.00/obj_no_threa.
> > 
> > I think it is also worth to mention that I manage to compile cp2k with 
> > flag --with-elpa=no.
> > 
> > Thank you in advance for your help!
> > 
> > Best regards,
> > Krzysztof
> > 
> > -- 
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> > <
> https://groups.google.com/d/msgid/cp2k/60525719-7909-44a5-b729-4314898ca143n%40googlegroups.com?utm_medium=email&utm_source=footer
> >.
>
> -- 
> Tiziano Müller
> University of Zurich
> Department of Chemistry
> Winterthurerstrasse 190
> CH-8057 Zürich
>
> Tel: +41 44 63 54234
> www.chem.uzh.ch
> tiz... at chem.uzh.ch
>
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