[Pw_forum] Questions about qe-gpu

[Lijuan He]

Dear Mr. Filippo,

Thank you so much for your help. I am wondering if I move to espresso 5.1,
which version of qe-gpu I should use? Is it the QE-GPU-14.03.0.tar.gz
<http://qe-forge.org/gf/download/frsrelease/150/528/QE-GPU-14.03.0.tar.gz>
 or QE-GPU-14.01.0.tar.gz
<http://qe-forge.org/gf/download/frsrelease/148/496/QE-GPU-14.01.0.tar.gz>?
Thanks.

Best,
Lijuan
PHD in Gatech


2014-06-13 11:32 GMT-04:00 Filippo Spiga <spiga.filippo at gmail.com>:

> Dear Lijuan,
>
> the old QE-GPU version has a old a different configure syntax. If you do
> "./configure --help" you will notice the differences. In your specific
> case, try "--enable-phigemm --enable-magma" and "--with-gpu-arch=35"
>
> Anyway, just an advice: unless there is specific reason you need to use
> 5.0.3, I strongly suggest to move to QE 5.0.x or 5.1
>
> Regards,
> Filippo
>
>
> On Jun 12, 2014, at 9:16 PM, Lijuan He <helijuan130 at gmail.com> wrote:
> > Dear Mr. Filippo,
> >
> > Thanks. When I run the which nvcc, it shows : /usr/local/cuda/bin/nvcc
> >
> > The version I use is espresso-5.0.2 and QE-GPU-r216.tar.gz.
> >
> > When I tried to run the configure command: ./configure -disable-parallel
> --enable-openmp \--enable-cuda --with-gpu-arch=sm_35
> \--with-cuda-dir=/usr/local/cuda \--with-magma --with-phigemm , the
> following error came up:
> >
> > configure: WARNING: unrecognized options: --with-magma, --with-phigemm
> >
> > However, at the end, it shows the configure is success. I checked the
> intermediate steps, it shows 'checking for nvcc... no'
> >
> > And then when I tried to run the command :
> >
> > cd ..
> > make -f Makefile.gpu pw-gpu
> >
> > at the end, it shows two errors:
> >
> > mkdir -p ../bin ../lib
> > ar ruv libphigemm.a phigemm_auxiliary.o phigemm_env.o phigemm_dgemm.o
> phigemm_zgemm.o phigemm_dgemm_specialK.o phigemm_zgemm_specialK.o
> phigemm_cgemm.o phigemm_sgemm.o
> > ar: creating libphigemm.a
> > ar: phigemm_auxiliary.o: No such file or directory
> > make[3]: *** [static] Error 1
> > make[3]: Leaving directory `/usr/local/espresso-5.0.2/phiGEMM/src'
> > make[2]: *** [phigemm] Error 2
> > make[2]: Leaving directory `/usr/local/espresso-5.0.2/phiGEMM'
> > make[1]: *** [libphiGEMM] Error 2
> > make[1]: Leaving directory `/usr/local/espresso-5.0.2/GPU/install'
> > make: *** [libphiGEMM] Error 2
> >
> > Thanks for your help.
> >
> > Best,
> > Lijuan He
> > PHD in Gatech
> >
> >
> >
> >
> >
> >
> >
> > 2014-06-07 9:57 GMT-04:00 Filippo Spiga <spiga.filippo at gmail.com>:
> > Dead Lijuan,
> >
> > is nvcc in PATH? What happen if you run
> >
> > $ which nvcc
> >
> > ?
> >
> > On Jun 7, 2014, at 4:39 AM, Lijuan He <helijuan130 at gmail.com> wrote:
> >
> > > Dear all,
> > >
> > > I am trying to run qe on GPU. I follow the step posted on
> https://github.com/fspiga/QE-GPU . However, when I try to run the command:
> > > $ ./configure --disable-parallel --enable-openmp \
> > >   --enable-cuda --with-gpu-arch=sm_35 \
> > >   --with-cuda-dir=<full-path-where-CUDA-is-installed> \
> > >   --with-magma --with-phigemm
> > >
> > >
> > > it shows that the nvcc cannot be found. But I checked the file nvcc is
> there. Anyone met the same problem or know what could be the possible
> reason? Thanks a lot.
> > >
> > > Best,
> > > Lijuan He
> > > PHD Candidate in Georgia Tech
> > >
> > >
> > > _______________________________________________
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> > > Pw_forum at pwscf.org
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> >
> > --
> > Mr. Filippo SPIGA, M.Sc.
> > http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga
> >
> > «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
> >
> > *****
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> --
> Mr. Filippo SPIGA, M.Sc.
> http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga
>
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
>
> *****
> Disclaimer: "Please note this message and any attachments are CONFIDENTIAL
> and may be privileged or otherwise protected from disclosure. The contents
> are not to be disclosed to anyone other than the addressee. Unauthorized
> recipients are requested to preserve this confidentiality and to advise the
> sender immediately of any error in transmission."
>
>
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