Dear Mr. Filippo, When I run the command : make -f Makefile.gpu pw-gpu, it gives the following errors. The version of cc I use is cc (GCC) 4.4.7 20120313 (Red Hat 4.4.7-4).
cc -O3 -fopenmp -fPIC -z muldefs -o libphigemm.so.2.0 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 -L/usr/local/cuda/lib64 -lcublas -lcufft -lcudart /home/wang_lab/espresso-5.0.2/GPU/..//phiGEMM/lib/libphigemm.a /home/wang_lab/espresso-5.0.2/GPU/..//BLAS/blas.a -L/usr/local/cuda/lib64 -lcublas -lcufft -lcudart /usr/lib/gcc/x86_64-redhat-linux/4.4.7/../../../../lib64/crt1.o: In function `_start': (.text+0x20): undefined reference to `main' /home/wang_lab/espresso-5.0.2/GPU/..//BLAS/blas.a(xerbla.o): In function `xerbla_': xerbla.f:(.text+0x51): undefined reference to `_gfortran_st_write' xerbla.f:(.text+0x61): undefined reference to `_gfortran_transfer_character' xerbla.f:(.text+0x71): undefined reference to `_gfortran_transfer_integer' xerbla.f:(.text+0x79): undefined reference to `_gfortran_st_write_done' xerbla.f:(.text+0x83): undefined reference to `_gfortran_stop_numeric' collect2: ld returned 1 exit status make[3]: *** [shared] Error 1 make[3]: Leaving directory `/home/wang_lab/espresso-5.0.2/phiGEMM/src' make[2]: *** [phigemm] Error 2 make[2]: Leaving directory `/home/wang_lab/espresso-5.0.2/phiGEMM' make[1]: *** [libphiGEMM] Error 2 make[1]: Leaving directory `/home/wang_lab/espresso-5.0.2/GPU/install' make: *** [libphiGEMM] Error 2 Is it possible the version of the cc cause the problem? Which version you recommend? Thanks a lot for your help. Best, Lijuan 2014-06-13 12:44 GMT-04:00 Filippo Spiga <spiga.filippo at gmail.com>: > Dear Lijuan, > > always the latest if possible. At this stage better wait for a formal > supported tag for QE 5.1. It is still a good practice before trying QE-GPU > to try the latest QE running CPU only. > > Regards, > F > > On Jun 13, 2014, at 4:42 PM, Lijuan He <helijuan130 at gmail.com> wrote: > > > 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 > or 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 > > > > > > > > > > > > _______________________________________________ > > > > Pw_forum mailing list > > > > Pw_forum at pwscf.org > > > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > > -- > > > 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." > > > > > > > > > > > > _______________________________________________ > > > Pw_forum mailing list > > > Pw_forum at pwscf.org > > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > > _______________________________________________ > > > Pw_forum mailing list > > > Pw_forum at pwscf.org > > > http://pwscf.org/mailman/listinfo/pw_forum > > > > -- > > 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." > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > 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. 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