[QE-users] information about PGI compiler v20+ download
Pietro Bonfa'
pietro.bonfa at unipr.it
Mon Nov 2 08:53:39 CET 2020
Dear Sitangshu,
can you try compiling this version using the same configure command?
https://gitlab.com/QEF/q-e-gpu/-/archive/hotfix/q-e-gpu-hotfix.tar.bz2
The link above is v6.6a2 with a patch for rebranded PGI compilers.
Best regards,
Pietro
--
Pietro Bonfà
Department of Mathematical, Physical and Computer Sciences
University of Parma
On 11/2/20 7:52 AM, Sitangshu Bhattacharya wrote:
> Hi Paulo and Louis,
> Thanks for your advice, I got the config done with this!:
>
> module load codes/cuda/10.2
> module load compilers/pgi/2020
> export CUDADIR=/apps/compilers/pgi/2020/Linux_x86_64/20.9/cuda/
> ./configure CC=pgcc F77=pgf90 FC=pgf90 F90=pgf90 MPIF90=mpif90
> --with-cuda=$CUDADIR --with-cuda-runtime=10.2 --with-cuda-cc=70
> --enable-openmp --with-scalapack=no LIBS="-L$CUDADIR/lib64/
> -L$CUDADIR/lib64/stubs/"
>
> However, while doing the make pw, I am getting the following error:
>
> NVFORTRAN-S-0519-More than one device-resident object in assignment
> (device_util_tmp.f90: 3924)
> NVFORTRAN-S-0519-More than one device-resident object in assignment
> (device_util_tmp.f90: 3932)
> NVFORTRAN-S-0519-More than one device-resident object in assignment
> (device_util_tmp.f90: 3932)
> NVFORTRAN-S-0519-More than one device-resident object in assignment
> (device_util_tmp.f90: 3932)
> NVFORTRAN-S-0519-More than one device-resident object in assignment
> (device_util_tmp.f90: 3942)
> NVFORTRAN-S-0519-More than one device-resident object in assignment
> (device_util_tmp.f90: 3950)
> 0 inform, 0 warnings, 14 severes, 0 fatal for sp_dev_mat_upd_dmd_c2d
> make[1]: *** [device_util.o] Error 2
> make[1]: Leaving directory
> `/data_hpc/home/sitanshu/softwares/q-e-gpu-qe-gpu-6.6a2/UtilXlib'
> make: *** [libutil] Error 1
>
> Please suggest...
>
> With regards,
> Sitangshu
>
>
>
>
>
>
> On Thu, Oct 29, 2020 at 11:13 AM Sitangshu Bhattacharya
> <sitangshu at iiita.ac.in <mailto:sitangshu at iiita.ac.in>> wrote:
>
> Dear Louis,
>
> Thanks for your suggestion. I made the changes as you suggested, but
> some other compiling error in line 92 is constantly appearing.
> I am attaching the config.log file for you to check please...
>
> Regards,
> Sitangshu
>
> On Tue, Oct 20, 2020 at 9:06 PM Sitangshu Bhattacharya
> <sitangshu at iiita.ac.in <mailto:sitangshu at iiita.ac.in>> wrote:
>
> Dear Louis, many thanks for your help, I am attaching the log
> file...
>
> Regards
> Sitangshu
>
> On Tue, Oct 20, 2020 at 8:33 PM Sitangshu Bhattacharya
> <sitangshu at iiita.ac.in <mailto:sitangshu at iiita.ac.in>> wrote:
>
> Hi Peirto, I tried to run the QE config file after
> installing the pgi compiler (20.9). It seems that pgifortran
> issue is now solved, but stuck with libcuda:
> Please let me know...
> Thanks,
> Sitangshu
>
> [root at agni q-e-gpu-qe-gpu-6.6a2]# ./configure CC=pgcc F77=pgf90 FC=pgf90 F90=pgf90 MPIF90=mpif90 --with-cuda=/usr/local/cuda/bin --with-cuda-runtime=9.2 --with-cuda-cc=70 --enable-openmp
> checking build system type... x86_64-pc-linux-gnu
> checking ARCH... x86_64
> checking setting AR... ... ar
> checking setting ARFLAGS... ... ruv
> checking whether the Fortran compiler works... yes
> checking for Fortran compiler default output file name... a.out
> checking for suffix of executables...
> checking whether we are cross compiling... no
> checking for suffix of object files... o
> checking whether we are using the GNU Fortran compiler... no
> checking whether pgf90 accepts -g... yes
> configure: WARNING: F90 value is set to be consistent with value of MPIF90
> checking for mpif90... mpif90
> checking whether we are using the GNU Fortran compiler... no
> checking whether mpif90 accepts -g... yes
> checking version of mpif90... nvfortran 20.9-0
> checking for Fortran flag to compile .f90 files... none
> setting F90... nvfortran
> setting MPIF90... mpif90
> checking whether we are using the GNU C compiler... yes
> checking whether pgcc accepts -g... yes
> checking for pgcc option to accept ISO C89... none needed
> setting CC... pgcc
> setting CFLAGS... -fast -Mpreprocess
> checking whether we are using the GNU Fortran 77 compiler... no
> checking whether pgf90 accepts -g... yes
> setting F77... pgf90
> using F90... nvfortran
> setting FFLAGS... -O1
> setting F90FLAGS... $(FFLAGS)
> setting FFLAGS_NOOPT... -O0
> setting CPP... cpp
> setting CPPFLAGS... -P -traditional -Uvector
> setting LD... mpif90
> setting LDFLAGS...
> checking for Fortran flag to compile .f90 files... (cached) none
> checking whether Fortran compiler accepts -Mcuda... yes
> checking for nvcc... /apps/compilers/pgi/2020/Linux_x86_64/20.9/compilers/bin/nvcc
> checking whether nvcc works... no
> configure: WARNING: CUDA compiler has problems.
> checking for cuInit in -lcuda... no
> configure: error: in `/data_hpc/home/sitanshu/softwares/q-e-gpu-qe-gpu-6.6a2':
> configure: error: Couldn't find libcuda
>
>
> On Sun, Oct 18, 2020 at 12:50 PM Sitangshu Bhattacharya
> <sitangshu at iiita.ac.in <mailto:sitangshu at iiita.ac.in>> wrote:
>
> Thank you Peitro, but the link only tells about nvhpc. I
> couldn't get the pgi compilers there...
>
> Regards,
> Sitangshu
>
> On Sun, Oct 18, 2020 at 12:14 PM Sitangshu Bhattacharya
> <sitangshu at iiita.ac.in <mailto:sitangshu at iiita.ac.in>>
> wrote:
>
> Dear all,
>
> I am in search of a pgi compiler V20+ to run QE on a
> V100 GPU. I looked in the nvidia and pgi websites,
> but it seems some sort of tie up is needed between
> the guest and pgi organizations. As this may take
> some time, may I know if there are any quick
> download links...?
>
>
> Regards,
> **********************************************
> Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
> Assistant Professor,
> Room No. 2221, CC-1,
> Electronic Structure Theory Group,
> Department of Electronics and Communication Engineering,
> Indian Institute of Information Technology-Allahabad
> Uttar Pradesh 211 012
> India
> Telephone: 91-532-2922000 Extn.: 2131
> Web-page: http://profile.iiita.ac.in/sitangshu/
> <http://profile.iiita.ac.in/sitangshu/>
> Institute: http://www.iiita.ac.in/
> <http://www.iiita.ac.in/>
>
>
>
> --
> **********************************************
> Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
> Assistant Professor,
> Room No. 2221, CC-1,
> Electronic Structure Theory Group,
> Department of Electronics and Communication Engineering,
> Indian Institute of Information Technology-Allahabad
> Uttar Pradesh 211 012
> India
> Telephone: 91-532-2922000 Extn.: 2131
> Web-page: http://profile.iiita.ac.in/sitangshu/
> <http://profile.iiita.ac.in/sitangshu/>
> Institute: http://www.iiita.ac.in/
> <http://www.iiita.ac.in/>
>
>
>
> --
> **********************************************
> Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
> Assistant Professor,
> Room No. 2221, CC-1,
> Electronic Structure Theory Group,
> Department of Electronics and Communication Engineering,
> Indian Institute of Information Technology-Allahabad
> Uttar Pradesh 211 012
> India
> Telephone: 91-532-2922000 Extn.: 2131
> Web-page: http://profile.iiita.ac.in/sitangshu/
> <http://profile.iiita.ac.in/sitangshu/>
> Institute: http://www.iiita.ac.in/
> <http://www.iiita.ac.in/>
>
>
>
> --
> **********************************************
> Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
> Assistant Professor,
> Room No. 2221, CC-1,
> Electronic Structure Theory Group,
> Department of Electronics and Communication Engineering,
> Indian Institute of Information Technology-Allahabad
> Uttar Pradesh 211 012
> India
> Telephone: 91-532-2922000 Extn.: 2131
> Web-page: http://profile.iiita.ac.in/sitangshu/
> <http://profile.iiita.ac.in/sitangshu/>
> Institute: http://www.iiita.ac.in/
> <http://www.iiita.ac.in/>
>
>
>
> --
> **********************************************
> Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
> Assistant Professor,
> Room No. 2221, CC-1,
> Electronic Structure Theory Group,
> Department of Electronics and Communication Engineering,
> Indian Institute of Information Technology-Allahabad
> Uttar Pradesh 211 012
> India
> Telephone: 91-532-2922000 Extn.: 2131
> Web-page: http://profile.iiita.ac.in/sitangshu/
> <http://profile.iiita.ac.in/sitangshu/>
> Institute: http://www.iiita.ac.in/
> <http://www.iiita.ac.in/>
>
>
>
> --
> **********************************************
> Sitangshu Bhattacharya (সিতাংশু ভট্টাচার্য), Ph.D
> Assistant Professor,
> Room No. 2221, CC-1,
> Electronic Structure Theory Group,
> Department of Electronics and Communication Engineering,
> Indian Institute of Information Technology-Allahabad
> Uttar Pradesh 211 012
> India
> Telephone: 91-532-2922000 Extn.: 2131
> Web-page: http://profile.iiita.ac.in/sitangshu/
> <http://profile.iiita.ac.in/sitangshu/>
> Institute: http://www.iiita.ac.in/
> <http://www.iiita.ac.in/>
>
>
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