[Pw_forum] PWscf compilation error

Jerry mike27971 at gmail.com
Mon Jun 13 07:49:58 CEST 2016


I found this on the quantum espresso website:

Source: http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node14.html

If you get error messages at the loading phase that look like file XYZ.o: unknown / not recognized/ invalid / wrong file type / file format / module version, one of the following things have happened:
you have leftover object files from a compilation with another compiler: run make clean and recompile.
make did not stop at the first compilation error (it may happen in some software configurations). Remove the file *.o that triggers the error message, recompile, look for a compilation error.
If many symbols are missing in the loading phase: you did not specify the location of all needed libraries (LAPACK, BLAS, FFTW, machine-specific optimized libraries), in the needed order. If only symbols from clib/ are missing, verify that you have the correct C-to-Fortran bindings, defined in include/c_defs.h. Note that QUANTUM ESPRESSO is self-contained (with the exception of MPI libraries for parallel compilation): if system libraries are missing, the problem is in your compiler/library combination or in their usage, not in QUANTUM ESPRESSO.

Anonymous
California State University
Chemistry student



<div>-------- Original message --------</div><div>From: udayagiri sai babu <udayagiri3 at gmail.com> </div><div>Date:06/12/2016  9:42 PM  (GMT-08:00) </div><div>To: PWSCF Forum <pw_forum at pwscf.org> </div><div>Subject: Re: [Pw_forum] PWscf compilation error </div><div>
</div>Can somebody guide me on how to resolve the above problem. I have tried many things but could not resolve the problem. Your help is much appreciated.

On Sat, Jun 11, 2016 at 1:27 AM, udayagiri sai babu <udayagiri3 at gmail.com> wrote:
Hi all,
I am trying to install QE 5.4.0 on centos, configure is successful but I am getting the following error in make. Could you please help me resolve the error.
​
test -d bin || mkdir bin
( cd FFTXlib ; make TLDEPS= all || exit 1 )
make[1]: Entering directory `/home/sai/espresso-5.4.0/FFTXlib'
mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__MPI -D__PARA  -I../include  -c fft_types.f90
mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__MPI -D__PARA  -I../include  -c scatter_mod.f90
mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW3 -D__MPI -D__PARA  -I../include  -c fft_scalar.f90
 In file fft_scalar.FFTW3.f90:25

     Included at fft_scalar.f90:23

       USE, intrinsic ::  iso_c_binding
      1
Error: Unclassifiable statement at (1)
make[1]: *** [fft_scalar.o] Error 1
make[1]: Leaving directory `/home/sai/espresso-5.4.0/FFTXlib'
make: *** [libfft] Error 1
​


-- 
Regards
U.Sai Babu
Research Scholar,
Deformation Mechanisms Modeling Group,
Materials Engineering Department,
IISc Bangalore,
India.



-- 
Regards
U.Sai Babu
Research Scholar,
Deformation Mechanisms Modeling Group,
Materials Engineering Department,
IISc Bangalore,
India.
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