[Pw_forum] Quantum Espresso Installation Problem

manchugh at iitk.ac.in manchugh at iitk.ac.in
Tue Jun 10 08:33:41 CEST 2014


Dear QE users

I am trying to install QE version 5.0.2 on my linux cluster.
I am configuring it in the following way :

./configure CC=icc F90=ifort  
BLAS_LIBS="-L/opt/software/intel_2013.0.028/mkl/lib/intel64/ -lblas" 
LAPACK_LIBS="-L/opt/software/intel_2013.0.028/mkl/lib/intel64/ -llapack" 
SCALAPACK_LIBS="-L/opt/software/intel_2013.0.028/mkl/lib/intel64/
-lscalapack"   FFT_LIBS="-L/home/manchugh/fftw-3.3.4 -lfftw3"
MPI_LIBS="-L/opt/software/intel_2013.0.028/impi/4.1.0.024/lib64/ -lmpi"

and after doing make all, the following errors appear (only last part of
the error I am showing):

Error: Unclassifiable statement at (1)
 In file exx.f90:1933

                    DO ibnd=1,nbnd !for each band of psi
                                 1
 In file exx.f90:1505

              DO ibnd=1,nbnd,2 !for each band of psi
                                                   2
Error: Variable 'ibnd' at (1) cannot be redefined inside loop beginning at
(2)
 In file exx.f90:1947

                        vc(:,:) = vc(:,:) +
rhoc(nls(ig))*CONJG(rhoc(nls(ig)))
                       1
Error: Unclassifiable statement at (1)
 In file exx.f90:1970

  END FUNCTION exx_stress
    1
Error: Expecting END IF statement at (1)
 In file exx.f90:1974

END MODULE exx
  1
Error: Expecting END IF statement at (1)
Error: Unexpected end of file in 'exx.f90'
make[2]: *** [exx.o] Error 1
make[2]: Leaving directory `/home/manchugh/espresso-5.0.2/PW/src'
make[1]: *** [pw] Error 2
make[1]: Leaving directory `/home/manchugh/espresso-5.0.2/PW'
make: *** [pw] Error 2

How should I configure the code?
Thanks for any help.

Regards
Manjusha
Research Scholar
Department of Chemistry
Indian Institute of Technology,Kanpur
U.P., India 208016




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