I believe I fixed the issue and correctly installed 5.0.3. The issue was a typo with the ENDIF& statement.
- Zhongnan On Wed, Dec 11, 2013 at 11:04 AM, Zhongnan Xu <zhongnanxu at cmu.edu> wrote: > Thank you for your quick response. I suspected the issue had something to > do with my version of the compiler. > > I downloaded version 5.0.2 as well as applied the patch. However, I am now > having an issue compiling version 5.0.2. This was actually the reason why I > used 5.0, because I never addressed the issue. The error message after > doing make pw is shown below. > > mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI > -D__PARA -D__SCALAPACK -I../include -I../../iotk/src -I../../Modules -I. > -c exx.f90 > In file exx.f90:1547 > > ENDIF& > 1 > Error: Expected terminating name at (1) > In file exx.f90:1553 > > END DO & > 1 > Error: Expecting END IF statement at (1) > In file exx.f90:1556 > > ELSE GAMMA_OR_NOT > 1 > Error: Label 'gamma_or_not' at (1) doesn't match IF label 'if_ecutfock' > In file exx.f90:1559 > > 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.f90:1589 > > GAMMA_OR_NOT > 1 > Error: Expected label 'if_ecutfock' for END IF statement at (1) > In file exx.f90:1591 > > END DO IQ_LOOP > 1 > Error: Expecting END IF statement at (1) > In file exx.f90:1592 > > END DO JBND_LOOP > 1 > Error: Expecting END IF statement at (1) > In file exx.f90:1593 > > END DO IKK_LOOP > 1 > Error: Expecting END IF statement at (1) > In file exx.f90:1616 > > END FUNCTION exxenergy2 > 1 > Error: Expecting END IF statement at (1) > In file exx.f90:1620 > > FUNCTION exx_divergence () > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1622 > > USE constants, ONLY : fpi, e2, pi > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1623 > > USE cell_base, ONLY : bg, at, alat, omega > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1624 > > USE gvect, ONLY : ngm, g > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1625 > > USE wvfct, ONLY : ecutwfc > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1626 > > USE io_global, ONLY : stdout > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1627 > > USE control_flags, ONLY : gamma_only > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1628 > > USE mp_global, ONLY : intra_bgrp_comm > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1629 > > USE mp, ONLY : mp_sum > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1631 > > IMPLICIT NONE > 1 > Error: Unexpected IMPLICIT NONE statement at (1) > In file exx.f90:1632 > > REAL(DP) :: exx_divergence > 1 > Error: Unexpected data declaration statement at (1) > In file exx.f90:1635 > > INTEGER :: iq1,iq2,iq3, ig > 1 > Error: Symbol 'ig' at (1) already has basic type of INTEGER > In file exx.f90:1636 > > REAL(DP) :: div, dq1, dq2, dq3, xq(3), q_, qq, tpiba2, alpha, x, q(3) > 1 > Error: Unexpected data declaration statement at (1) > In file exx.f90:1638 > > INTEGER :: nqq, iq > 1 > Error: Symbol 'iq' at (1) already has basic type of INTEGER > In file exx.f90:1639 > > REAL(DP) :: aa, dq > 1 > Error: Unexpected data declaration statement at (1) > In file exx.f90:1660 > > xq(:) = bg(:,1) * (iq1-1) * dq1 + & > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1664 > > q(1)= xq(1) + g(1,ig) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1665 > > q(2)= xq(2) + g(2,ig) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1666 > > q(3)= xq(3) + g(3,ig) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1717 > > DO iq=0, nqq > 1 > In file exx.f90:1484 > > DO iq = 1,nqs > 2 > Error: Variable 'iq' at (1) cannot be redefined inside loop beginning at > (2) > In file exx.f90:1740 > > END FUNCTION exx_divergence > 1 > Error: Expecting END IF statement at (1) > In file exx.f90:1744 > > FUNCTION exx_stress() > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1749 > > USE constants, ONLY : fpi, e2, pi, tpi > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1750 > > USE io_files, ONLY : iunigk,iunwfc, nwordwfc > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1751 > > USE buffers, ONLY : get_buffer > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1752 > > USE cell_base, ONLY : alat, omega, bg, at, tpiba > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1753 > > USE symm_base,ONLY : nsym, s > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1754 > > USE gvect, ONLY : ngm > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1755 > > USE gvecs, ONLY : nls, nlsm, doublegrid > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1756 > > USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, current_k > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1757 > > USE control_flags, ONLY : gamma_only > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1758 > > USE wavefunctions_module, ONLY : evc > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1759 > > USE klist, ONLY : xk, ngk, nks > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1760 > > USE lsda_mod, ONLY : lsda, current_spin, isk > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1761 > > USE gvect, ONLY : g, nl > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1762 > > USE mp_global, ONLY : inter_pool_comm, inter_bgrp_comm, intra_bgrp_comm > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1763 > > USE mp_global, ONLY : my_image_id, nimage > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1764 > > USE mp, ONLY : mp_sum > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1765 > > USE fft_base, ONLY : dffts > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1766 > > USE fft_interfaces, ONLY : fwfft, invfft > 1 > Error: Unexpected USE statement at (1) > In file exx.f90:1768 > > IMPLICIT NONE > 1 > Error: Unexpected IMPLICIT NONE statement at (1) > In file exx.f90:1769 > > REAL(DP) :: exx_stress(3,3), exx_stress_(3,3) > 1 > Error: Unexpected data declaration statement at (1) > In file exx.f90:1770 > > complex(dp), allocatable :: tempphic(:), temppsic(:) > 1 > Error: Symbol 'tempphic' at (1) already has basic type of COMPLEX > In file exx.f90:1771 > > complex(dp), allocatable :: rhoc(:) > 1 > Error: Symbol 'rhoc' at (1) already has basic type of COMPLEX > In file exx.f90:1772 > > REAL(DP), allocatable :: fac(:), fac_tens(:,:,:), fac_stress(:) > 1 > Error: Symbol 'fac' at (1) already has basic type of REAL > In file exx.f90:1773 > > INTEGER :: jbnd, ibnd, ik, ikk, ig, ikq, iq, isym > 1 > Error: Symbol 'jbnd' at (1) already has basic type of INTEGER > In file exx.f90:1774 > > INTEGER :: half_nbnd, h_ibnd, nqi, iqi, beta, nrxxs > 1 > Error: Symbol 'half_nbnd' at (1) already has basic type of INTEGER > In file exx.f90:1775 > > REAL(DP) :: x1, x2 > 1 > Error: Symbol 'x1' at (1) already has basic type of REAL > In file exx.f90:1776 > > REAL(DP) :: qq, xk_cryst(3), sxk(3), xkq(3), vc(3,3), x, q(3) > 1 > Error: Symbol 'xk_cryst' at (1) already has basic type of REAL > In file exx.f90:1778 > > REAL(DP) :: delta(3,3) > 1 > Error: Unexpected data declaration statement at (1) > In file exx.f90:1789 > > allocate( fac_tens(3,3,ngm), fac_stress(ngm) ) > 1 > Error: Syntax error in ALLOCATE statement at (1) > In file exx.f90:1799 > > DO ikk = 1, nks > 1 > In file exx.f90:1446 > > DO ikk=1,nks > 2 > Error: Variable 'ikk' at (1) cannot be redefined inside loop beginning at > (2) > In file exx.f90:1810 > > DO jbnd = 1, nbnd > 1 > In file exx.f90:1457 > > cle is outside band) > 2 > Error: Variable 'jbnd' at (1) cannot be redefined inside loop beginning at > (2) > In file exx.f90:1821 > > iq=iqi > 1 > In file exx.f90:1484 > > DO iq = 1,nqs > 2 > Error: Variable 'iq' at (1) cannot be redefined inside loop beginning at > (2) > In file exx.f90:1837 > > q(1)= xk(1,current_k) - xkq(1) + g(1,ig) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1838 > > q(2)= xk(2,current_k) - xkq(2) + g(2,ig) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1839 > > q(3)= xk(3,current_k) - xkq(3) + g(3,ig) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1841 > > q = q * tpiba > 1 > Error: Function 'q' requires an argument list at (1) > In file exx.f90:1845 > > fac_tens(1:3,beta,ig) = q(1:3)*q(beta) > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1860 > > fac_stress(ig) = 0._dp ! not implemented > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1865 > > fac_stress(ig) = 0._dp ! not implemented > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1873 > > grid_factor > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1876 > > actor > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1880 > > IF (gamma_only) fac_stress(ig) = 2.d0 * > fac_stress(ig) > 1 > Error: Unclassifiable statement in IF-clause at (1) > In file exx.f90:1882 > > IF (on_double_grid) fac_stress(ig) = 0._dp > 1 > Error: Unclassifiable statement in IF-clause at (1) > In file exx.f90:1886 > > nted) > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1889 > > fac_stress(ig) = 2.d0 * e2*fpi/(qq+yukawa)**2 > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1893 > > fac_stress(ig) = e2*fpi / (8.d0*erfc_scrlen**4) > 1 > Error: Unexpected STATEMENT FUNCTION statement at (1) > In file exx.f90:1902 > > DO ibnd=1,nbnd, 2 !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.f90:1922 > > vc(:,:) = vc(:,:) + fac(ig) * x1 * & > 1 > Error: Unclassifiable statement at (1) > In file exx.f90:1925 > > vc(:,:) = vc(:,:) + fac(ig) * x2 * & > 1 > 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-research/zhongnanxu/opt/espresso-5.0.2/PW/src' > make[1]: *** [pw] Error 2 > make[1]: Leaving directory > `/home-research/zhongnanxu/opt/espresso-5.0.2/PW' > make: *** [pw] Error 2 > > Thanks. > > - Zhongna > > > On Wed, Dec 11, 2013 at 10:45 AM, Paolo Giannozzi < > paolo.giannozzi at uniud.it> wrote: > >> On Tue, 2013-12-10 at 16:34 -0500, Zhongnan Xu wrote: >> >> >> > Error: Exponent at (1) must be INTEGER for an initialization >> > expression >> > In file elf.f90:222 >> > rdg(i) = fac * 100.d0 / abs(rho%of_r(i,1))**(4.d0/3.d0) >> > [...] Am I using the wrong compiler or incorrect options? What can I >> > do to fix this? Thanks. >> >> some compilers do not like powers with non-integer exponent in a >> declaration. If you look a few lines above the one you mention, >> you will likely find: >> real(dp), parameter :: fac = (1.d0/2.d0)*1.d0/(3.d0*pi**2)**(1.d0/3.d0) >> In more recent QE versions (e.g. 5.0.3) "fac" is just declared as real, >> not parameter, then initialized in the first executable line >> >> P. >> -- >> Paolo Giannozzi, Dept. Chemistry&Physics&Environment, >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >> Phone +39-0432-558216, fax +39-0432-558222 >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Zhongnan Xu, PhD Candidate > Department of Chemical Engineering > Carnegie Mellon University > zhongnanxu at cmu.edu > > -- Zhongnan Xu, PhD Candidate Department of Chemical Engineering Carnegie Mellon University zhongnanxu at cmu.edu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131211/0edb956e/attachment.html
