Dear Muhammad Zafar, have you removed the
FFLAGS = -O3 and used the linux-proposed: FFLAGS = -O3 -ffast-math -fno-f2c in each makefile? In my case, this was important. Good luck, Guntram Am 13.07.2011 13:22, schrieb zafar rasheed: > > > > Dear Users > I want to use QHA for thermodynamic properties. I change fortran > compiler ifort to gfortran (fedora core 7)in makefiles of > Debay,Include,Phonon_Dos,SRC diretories . This change creates all > *.x files except Phonon_dos.x . > The process after compilation is as follows > ? > [root at localhost QHA]# ./Compile > gfortran -O3 -c tetra.f > gfortran -O3 -c k_brillouin.f > gfortran -O3 -c generate_tetra.f > In file generate_tetra.f:84 > IF(S-.0001)3,3,1 > 1 > Warning: Obsolete: arithmetic IF statement at (1) > gfortran -O3 -c det3.f > gfortran -O3 -c det4.f > gfortran -static -o tetra.x tetra.o k_brillouin.o generate_tetra.o > det3.o det4.o > gfortran -O3 -c phonon_dos.f > In file phonon_dos.f:122 > open(unit=8,file='PHDOS.out',access='sequential',form='formatted' > 1 > Error: Syntax error in OPEN statement at (1) > make: *** [phonon_dos.o] Error 1 > gfortran -O3 -c Debye.f90 > In file Debye.f90:144 > do T = T_low_start, T_low, T_low_delta > 1 > Warning: Obsolete: REAL DO loop iterator at (1) > In file Debye.f90:177 > do T = T_low+5, T_high, T_high_delta > 1 > Warning: Obsolete: REAL DO loop iterator at (1) > gfortran -O3 -c Debye_T.f > gfortran -O3 -c debye3.f > gfortran -O3 -c cheval.f > gfortran -O3 -c d1mach.f > gfortran -static -o Debye.x Debye.o Debye_T.o debye3.o cheval.o > d1mach.o > gfortran -FR -c Mean_square_displacement.f90 > In file Mean_square_displacement.f90:162 > do T=T_start,T_end,T_delta > 1 > Warning: Obsolete: REAL DO loop iterator at (1) > gfortran -static -o Mean_square_displacement.x > Mean_square_displacement.o > gfortran -FR -c Atom_projected_properties.f90 > In file Atom_projected_properties.f90:180 > do T=T_start, T_end, T_delta > 1 > Warning: Obsolete: REAL DO loop iterator at (1) > gfortran -static -o Atom_projected_properties.x > Atom_projected_properties.o > gfortran -FR -c F_QHA.f90 > In file F_QHA.f90:134 > do T=T_start,T_end,T_delta > 1 > Warning: Obsolete: REAL DO loop iterator at (1) > gfortran -static -o F_QHA.x F_QHA.o > gfortran -FR -c Ghost_DOS.f90 > gfortran -static -o Ghost_DOS.x Ghost_DOS.o > gfortran -FR -c Partial_phonon_DOS.f90 > gfortran -static -o Partial_phonon_DOS.x Partial_phonon_DOS.o > gfortran -FR -c atom_info.f90 > gfortran -static -o atom_info.x atom_info.o > ? > > Muhammad Zafar > PhD Scholar > Department of Physics > The Islamia University of Bahawalpur,Pakistan > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
