[QE-users] information about PGI compiler v20+ download

[Sitangshu Bhattacharya]

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> 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> 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> 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> 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/
>>>> Institute: 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/
>>> Institute: 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/
>> Institute: 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/
> Institute: 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/
Institute: http://www.iiita.ac.in/
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