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 <
[email protected]> 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 <
> [email protected]> 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@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 <
>> [email protected]> 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 <
>>> [email protected]> 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/
This file contains any messages produced by compilers while
running configure, to aid debugging if configure makes a mistake.
It was created by ESPRESSO configure 6.6, which was
generated by GNU Autoconf 2.69. Invocation command line was
$ ./install/configure CC=pgcc F77=pgf90 FC=pgf90 F90=pgf90 MPIF90=mpif90 --with-cuda=/usr/local/cuda --with-cuda-runtime=9.2 --with-cuda-cc=70 --enable-openmp LIBS=/usr/local/cuda/lib64/stubs/
## --------- ##
## Platform. ##
## --------- ##
hostname = agni
uname -m = x86_64
uname -r = 3.10.0-693.el7.x86_64
uname -s = Linux
uname -v = #1 SMP Tue Aug 22 21:09:27 UTC 2017
/usr/bin/uname -p = x86_64
/bin/uname -X = unknown
/bin/arch = x86_64
/usr/bin/arch -k = unknown
/usr/convex/getsysinfo = unknown
/usr/bin/hostinfo = unknown
/bin/machine = unknown
/usr/bin/oslevel = unknown
/bin/universe = unknown
PATH: /apps/compilers/pgi/2020/Linux_x86_64/20.9/comm_libs/mpi/bin
PATH: /apps/compilers/pgi/2020/Linux_x86_64/20.9/compilers/bin
PATH: /apps/compilers/pgi/2020/Linux_x86_64/20.9/cuda/bin
PATH: /opt/xcat/bin
PATH: /opt/xcat/sbin
PATH: /opt/xcat/share/xcat/tools
PATH: /apps/intel/parallel_studio_xe_2018_update3_cluster_edition/compilers_and_libraries_2018.3.222/linux/mpi/intel64/bin
PATH: /opt/ohpc/pub/compiler/gcc/5.4.0/bin
PATH: /opt/ohpc/pub/utils/prun/1.2
PATH: /opt/ohpc/pub/bin
PATH: /usr/lpp/mmfs/bin
PATH: /apps/libs/fftw/3.3.8/bin
PATH: /usr/local/cuda-9.2/bin
PATH: /usr/local/sbin
PATH: /usr/local/bin
PATH: /sbin
PATH: /bin
PATH: /usr/sbin
PATH: /usr/bin
PATH: /opt/pbs/bin
PATH: /opt/pbs/sbin
PATH: /root/bin
## ----------- ##
## Core tests. ##
## ----------- ##
configure:2256: checking build system type
configure:2270: result: x86_64-pc-linux-gnu
configure:2294: checking ARCH
configure:2345: result: x86_64
configure:2365: checking setting AR...
configure:2371: result: ar
configure:2376: checking setting ARFLAGS...
configure:2382: result: ruv
configure:2513: checking for Fortran compiler version
configure:2522: pgf90 --version >&5
pgf90 (aka nvfortran) 20.9-0 LLVM 64-bit target on x86-64 Linux -tp skylake
PGI Compilers and Tools
Copyright (c) 2020, NVIDIA CORPORATION. All rights reserved.
configure:2533: $? = 0
configure:2522: pgf90 -v >&5
Export PGI_CURR_CUDA_HOME=/data/apps/compilers/pgi/2020/Linux_x86_64/20.9/cuda/
Export NVCOMPILER=/data/apps/compilers/pgi/2020/Linux_x86_64/20.9
Export PGI=/data/apps/compilers/pgi/2020
pgf90-Warning-No files to process
configure:2533: $? = 0
configure:2522: pgf90 -V >&5
pgf90 (aka nvfortran) 20.9-0 LLVM 64-bit target on x86-64 Linux -tp skylake
PGI Compilers and Tools
Copyright (c) 2020, NVIDIA CORPORATION. All rights reserved.
configure:2533: $? = 0
configure:2522: pgf90 -qversion >&5
pgf90-Error-Unknown switch: -qversion
configure:2533: $? = 1
configure:2548: checking whether the Fortran compiler works
configure:2570: pgf90 conftest.f /usr/local/cuda/lib64/stubs/ >&5
conftest.f:
/usr/local/cuda/lib64/stubs/: file not recognized: Is a directory
configure:2574: $? = 2
configure:2612: result: no
configure: failed program was:
| program main
|
| end
configure:2617: error: in `/data_hpc/home/sitanshu/softwares/q-e-gpu-qe-gpu-6.6a2':
configure:2619: error: Fortran compiler cannot create executables
See `config.log' for more details
## ---------------- ##
## Cache variables. ##
## ---------------- ##
ac_cv_build=x86_64-pc-linux-gnu
ac_cv_env_CC_set=set
ac_cv_env_CC_value=pgcc
ac_cv_env_CFLAGS_set=
ac_cv_env_CFLAGS_value=
ac_cv_env_CPPFLAGS_set=
ac_cv_env_CPPFLAGS_value=
ac_cv_env_EXTLIB_FLAGS_set=
ac_cv_env_EXTLIB_FLAGS_value=
ac_cv_env_F77_set=set
ac_cv_env_F77_value=pgf90
ac_cv_env_FCFLAGS_set=
ac_cv_env_FCFLAGS_value=
ac_cv_env_FC_set=set
ac_cv_env_FC_value=pgf90
ac_cv_env_FFLAGS_set=
ac_cv_env_FFLAGS_value=
ac_cv_env_LDFLAGS_set=
ac_cv_env_LDFLAGS_value=
ac_cv_env_LIBS_set=set
ac_cv_env_LIBS_value=/usr/local/cuda/lib64/stubs/
ac_cv_env_NVCCFLAGS_set=
ac_cv_env_NVCCFLAGS_value=
ac_cv_env_build_alias_set=
ac_cv_env_build_alias_value=
ac_cv_env_host_alias_set=
ac_cv_env_host_alias_value=
ac_cv_env_target_alias_set=
ac_cv_env_target_alias_value=
## ----------------- ##
## Output variables. ##
## ----------------- ##
CC='pgcc'
CFLAGS=''
CPPFLAGS=''
CUDA_CFLAGS=''
CUDA_LDLIBS=''
DEFS=''
ECHO_C=''
ECHO_N='-n'
ECHO_T=''
EXEEXT=''
EXTLIB_FLAGS=''
F77='pgf90'
FC='pgf90'
FCFLAGS=''
FCFLAGS_f90=''
FFLAGS=''
LDFLAGS=''
LIBOBJS=''
LIBS='/usr/local/cuda/lib64/stubs/'
LIBS_LIBXC=''
LTLIBOBJS=''
NVCC=''
NVCCFLAGS=''
OBJEXT=''
PACKAGE_BUGREPORT=''
PACKAGE_NAME='ESPRESSO'
PACKAGE_STRING='ESPRESSO 6.6'
PACKAGE_TARNAME='espresso'
PACKAGE_URL=''
PACKAGE_VERSION='6.6'
PATH_SEPARATOR=':'
SET_MAKE=''
SHELL='/bin/sh'
ac_ct_CC=''
ac_ct_F77=''
ac_ct_FC=''
ar='ar'
arch='x86_64'
arflags='ruv'
beef_libs=''
beef_libs_switch=''
bindir='${exec_prefix}/bin'
blas_libs=''
blas_libs_switch=''
blas_line=''
build='x86_64-pc-linux-gnu'
build_alias=''
build_cpu='x86_64'
build_os='linux-gnu'
build_vendor='pc'
cc=''
cflags=''
cpp='cpp'
cppflags=''
cuda_extlibs=''
cuda_fflags=''
cuda_libs=''
datadir='${datarootdir}'
datarootdir='${prefix}/share'
dflags=''
docdir='${datarootdir}/doc/${PACKAGE_TARNAME}'
dvidir='${docdir}'
elpa_libs=''
elpa_line=''
exec_prefix='NONE'
extlib_flags=''
f77='pgf90'
f90='pgf90'
f90flags=''
f90rule=''
fdflags=''
fflags=''
fflags_nomain=''
fflags_noopt=''
fft_libs=''
fft_line=''
foxflags=''
gpu_arch=''
gpu_runtime=''
hdf5_libs=''
hdf5_line=''
host_alias=''
htmldir='${docdir}'
iflags=''
imod=''
includedir='${prefix}/include'
infodir='${datarootdir}/info'
lapack_libs=''
lapack_libs_switch=''
lapack_line=''
ld=''
ld_libs=''
ldflags=''
libdir='${exec_prefix}/lib'
libexecdir='${exec_prefix}/libexec'
libxc_line=''
localedir='${datarootdir}/locale'
localstatedir='${prefix}/var'
mandir='${datarootdir}/man'
mass_libs=''
mass_line=''
mpi_libs=''
mpi_line=''
mpif90='mpif90'
oldincludedir='/usr/include'
parallel_report=''
pdfdir='${docdir}'
pre_fdflags=''
prefix='NONE'
program_transform_name='s,x,x,'
psdir='${docdir}'
ranlib=''
sbindir='${exec_prefix}/sbin'
scalapack_libs=''
scalapack_line=''
sharedstatedir='${prefix}/com'
sysconfdir='${prefix}/etc'
target_alias=''
topdir='/data_hpc/home/sitanshu/softwares/q-e-gpu-qe-gpu-6.6a2'
wget=''
## ----------- ##
## confdefs.h. ##
## ----------- ##
/* confdefs.h */
#define PACKAGE_NAME "ESPRESSO"
#define PACKAGE_TARNAME "espresso"
#define PACKAGE_VERSION "6.6"
#define PACKAGE_STRING "ESPRESSO 6.6"
#define PACKAGE_BUGREPORT ""
#define PACKAGE_URL ""
configure: exit 77
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