compilation error!

[vasp84]

Thank you Andrea for helping,
i have checked if i have cc compilers in make.sys for quantum espresso and it looks i have it. see the attached file.
but when I do :
./configure FC=ifort CC=icc
i got this error:
configure: loading site script /usr/share/site/x86_64-unknown-linux-gnu
checking for gcc... icc
checking whether the C compiler works... no
configure: error: in `/home/yambo/yambo-3.4.1-rev61':
configure: error: C compiler cannot create executables
See `config.log' for more details
also i tried :
./configure FC=ifort CC=icc CPP="icc -E"
and got this error:
configure: loading site script /usr/share/site/x86_64-unknown-linux-gnu
checking for gcc... icc
checking whether the C compiler works... no
configure: error: in `/home/yambo/yambo-3.4.1-rev61':
configure: error: C compiler cannot create executables
See `config.log' for more details

[andrea.ferretti]

Now I would:
* post the current config.log
* check if icc is working (try to compile a trivial program, getting inspired by config.log)
* quantum espresso uses cc and not icc.
Try to figure out where cc is pointing ( it may be a link. Try with "which cc" )
* try ./configure CC=cc FC=ifort in yambo

[vasp84]

Try with "which cc" )

I've got /usr/bin/cc

* try ./configure CC=cc FC=ifort in yambo

but the same error .

I did your recipe published somewhere in this forum;
./configure \
> --with-blas="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \
> --with-lapack=" -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \
> --with-iotk="/home/ferretti/espresso-5.2.0/iotk" \
> PFC="mpif90" \
> FC="mpif90" \
> F90="mpif90" \
> F77="ifort" \
> CC="cc" \
> LDFLAGS="-nofor_main"
configure: loading site script /usr/share/site/x86_64-unknown-linux-gnu
checking for gcc... cc
checking whether the C compiler works... no
configure: error: in `/home/yambo/yambo-3.4.1-rev61':
configure: error: C compiler cannot create executables
See `config.log' for more details

[andrea.ferretti]

All of this seems to point to the fact the cc compiler is not working.
In order to confirm this, try to run cc (as well as ifort):

cc -v
ifort -v

Even if you have a working built of QE, something may have changed in your installation
and the compilers may no longer work (this is what configure is suggesting).

Before going on it is important you try to compile basic c and f90 programs such as:

test.c:

Code: Select all

#include<stdio.h>
int main ()  
{
   printf("hello world\n");
}

test.f90:

Code: Select all

program test
   write(*,*) "hello world"
end program

Also, don't forget to post your current config.log

Andrea

[vasp84]

Thank you for your reply, it looks compilers are working good. Take a look:

cc -v
Andrea

Using built-in specs.
COLLECT_GCC=cc
COLLECT_LTO_WRAPPER=/usr/lib64/gcc/x86_64-suse-linux/4.6/lto-wrapper
Target: x86_64-suse-linux
Configured with: ../configure --prefix=/usr --infodir=/usr/share/info --mandir=/usr/share/man --libdir=/usr/lib64 --libexecdir=/usr/lib64 --enable-languages=c,c++,objc,fortran,obj-c++,java,ada --enable-checking=release --with-gxx-include-dir=/usr/include/c++/4.6 --enable-ssp --disable-libssp --disable-plugin --with-bugurl=http://bugs.opensuse.org/ --with-pkgversion='SUSE Linux' --disable-libgcj --disable-libmudflap --with-slibdir=/lib64 --with-system-zlib --enable-__cxa_atexit --enable-libstdcxx-allocator=new --disable-libstdcxx-pch --enable-version-specific-runtime-libs --program-suffix=-4.6 --enable-linux-futex --without-system-libunwind --with-arch-32=i586 --with-tune=generic --build=x86_64-suse-linux
Thread model: posix
gcc version 4.6.2 (SUSE Linux)

ifort -v
Andrea

ifort version 12.1.4

test.c:

Code: Select all

#include<stdio.h>
int main ()  
{
   printf("hello world\n");
}

Andrea

home@whisper:~/test-compilers> vi c-test.c
home@whisper:~/test-compilers> ls
c-test.c
home@whisper:~/test-compilers> cc c-test.c -o test
home@whisper:~/test-compilers> ls
c-test.c test*
home@whisper:~/test-compilers> ./test
hello world!

test.f90:

Code: Select all

program test
   write(*,*) "hello world"
end program

Andrea

home@whisper:~/test-compilers> vi f90-test.f90
home@whisper:~/test-compilers> ls
c-test.c f90-test.f90 test*
home@whisper:~/test-compilers> gfortran -o hello-f90 f90-test.f90
home@whisper:~/test-compilers> ls
c-test.c f90-test.f90 hello-f90* test*
home@whisper:~/test-compilers> ./hello-f90
Hello World!

[andrea.ferretti]

Hi Jarek,

thanks for reporting. Besides ifort and cc (gnu) working, I then suspect icc is also working.
The fact that yambo configure complains about cc not working is probably due then to a negative "interference" with other flags...
Nevertheless, the following works in my case:

Code: Select all

./configure \
  FC=ifort \
  F90=ifort \
  F77=ifort \
  CC=icc \
  CPP="icc -E" \
  CPPFLAGS="-ansi" \
  FCFLAGS="-O3" \
  LDFLAGS=-nofor_main

Please also note that the configure distributed with yambo 3.4.1-rev61 is becoming deprecated while an updated configure procedure is released with yambo-3.4.2, that can be downloaded here:

http://www.yambo-code.org/files/yambo-s ... est.tar.gz

with this new configure, a simpler configuration should work:

Code: Select all

./configure FC=ifort CC=icc 

[vasp84]

Code: Select all

./configure FC=ifort CC=icc 

I tried :
>>./configure FC=ifort CC=icc
>> make all
but got errors;
>>>[Making wf_and_fft]<<<
make[1]: Entering directory `/home/yambo/yambo-stable/src/wf_and_fft'
fft_setup.F fft_3d.F sgfft.F(18): error: incorrectly formed universal character name
! Fourier Transform, Comp. Phys. Commun. \underline{76}, 294 (1993)
^

make[1]: *** [sgfft.o] Error 2
make[1]: Leaving directory `/home/yambo/yambo-stable/src/wf_and_fft'
make: *** [yambo] Error 2

And please see .log file

[andrea.ferretti]

very nice error !!!

Actually this does not show up in my case (same version, intel compilers + parallel environment).

If you want to workaround the problem try to compile using FFTW3 (e.g. from mkl)
it should be enough to add
--wth-fft-libs="-mkl"
to the configure flags
This will also result in a much more performing build

of course, issue a make clean_all before doing anything.

Since it is interesting to understand what happened to your current compilation, please send in
sgfft.F, config/setup, config/report

Andrea

[vasp84]

Sorry but I got confused, how to include everything. I tried this :
/configure FC=ifort CC=icc \
--wth-fft-libs="-mkl"

Thank you Andrea for your patience.

[andrea.ferretti]

exactly:

Code: Select all

./configure   FC=ifort CC=icc  --wth-fft-libs="-mkl"

does it work ?