[Thermo_pw-forum] (no subject)

[Andrea Dal Corso]

This indicates a mismatch between the version on Quantum espresso and  
that of thermo_pw.
In this moment the best choice is to take Quantum espresso 6.1
and thermo_pw 0.7.9

You find the first in
http://www.qe-forge.org/gf/project/q-e/frs/

and the second in
https://github.com/dalcorso/thermo_pw/releases

HTH,

Andrea



Quoting ahmed amine <ahmedamine_dz at yahoo.fr>:

> hello
> when I try to install thermo_pw this error: check_bands.f90(22):  
> error #6580: Name in only-list does not exist.   [QEXML_INIT]
> how can i resolve it?
>
> mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__FFTW3  
> -D__MPI -D__SCALAPACK  -I/home/ubuntu/quantum//include -I../include/  
> -I../../iotk/src -I../../Modules -I../../FFTXlib -I../../LAXlib  
> -I../../PW/src -I../../LR_Modules -I../../PHonon/PH -I../lib  -I. -c  
> apply_ac.f90
> mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__FFTW3  
> -D__MPI -D__SCALAPACK  -I/home/ubuntu/quantum//include -I../include/  
> -I../../iotk/src -I../../Modules -I../../FFTXlib -I../../LAXlib  
> -I../../PW/src -I../../LR_Modules -I../../PHonon/PH -I../lib  -I. -c  
> allocate_phq.f90
> mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__FFTW3  
> -D__MPI -D__SCALAPACK  -I/home/ubuntu/quantum//include -I../include/  
> -I../../iotk/src -I../../Modules -I../../FFTXlib -I../../LAXlib  
> -I../../PW/src -I../../LR_Modules -I../../PHonon/PH -I../lib  -I. -c  
> check_bands.f90
> check_bands.f90(22): error #6580: Name in only-list does not  
> exist.   [QEXML_INIT]
>   USE qexml_module, ONLY : qexml_init, qexml_openfile, qexml_closefile, &
> ---------------------------^
> check_bands.f90(22): error #6580: Name in only-list does not  
> exist.   [QEXML_OPENFILE]
>   USE qexml_module, ONLY : qexml_init, qexml_openfile, qexml_closefile, &
> ---------------------------------------^
> check_bands.f90(22): error #6580: Name in only-list does not  
> exist.   [QEXML_CLOSEFILE]
>   USE qexml_module, ONLY : qexml_init, qexml_openfile, qexml_closefile, &
> -------------------------------------------------------^
> check_bands.f90(23): error #6580: Name in only-list does not  
> exist.   [QEXML_READ_BZ]
>                          qexml_read_bz
> -------------------------^
> check_bands.f90(71): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [BINARY]
>         CALL qexml_openfile( filename, 'read', BINARY = .FALSE.,  
> IERR = ierr )
> -----------------------------------------------^
> check_bands.f90(71): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [IERR]
>         CALL qexml_openfile( filename, 'read', BINARY = .FALSE.,  
> IERR = ierr )
> -----------------------------------------------------------------^
> check_bands.f90(72): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [NUM_K_POINTS]
>         CALL qexml_read_bz( NUM_K_POINTS= nks, IERR =  ierr )
> ----------------------------^
> check_bands.f90(72): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [IERR]
>         CALL qexml_read_bz( NUM_K_POINTS= nks, IERR =  ierr )
> -----------------------------------------------^
> check_bands.f90(83): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [XK]
>            CALL qexml_read_bz(XK=xk, Wk=wk, IERR = ierr)
> ------------------------------^
> check_bands.f90(83): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [WK]
>            CALL qexml_read_bz(XK=xk, Wk=wk, IERR = ierr)
> -------------------------------------^
> check_bands.f90(83): error #6632: Keyword arguments are invalid  
> without an explicit interface.   [IERR]
>            CALL qexml_read_bz(XK=xk, Wk=wk, IERR = ierr)
> --------------------------------------------^
> compilation aborted for check_bands.f90 (code 1)
> ../../make.inc:16: recipe for target 'check_bands.o' failed
> make[2]: *** [check_bands.o] Error 1
> make[2]: Leaving directory '/home/ubuntu/quantum/thermo_pw/qe'
> Makefile:19: recipe for target 'thermo_qe' failed
> make[1]: *** [thermo_qe] Error 1
> make[1]: Leaving directory '/home/ubuntu/quantum/thermo_pw'
> Makefile:85: recipe for target 'thermo_pw' failed
> make: *** [thermo_pw] Error 1
>
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