Yambo Community Forum

Dear all,
I try to compile YAMBO.3.0, but meet some problems.
First of all. I use "./configure FC=ifort --with-iotk=/home/duanwh/app/Pz-Tang/espresso-4.3.2/iotk --with-p2y=4.3"
It gives this report:
=======================================================
#
# [VER] 3.3.0 r.1887
#
# [SYS] linux@x86_64
# [SRC] /home/duanwh/app/Pz-Tang/yambo-3.3.0-rev36
# [BIN] /home/duanwh/app/Pz-Tang/yambo-3.3.0-rev36/bin
# [FFT] Goedecker Fast Fourier transform with 0 cache
#
# [ ] Double precision
# [X] Redundant compilation
# [ ] MPI
# [X] PW (5.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] NETCDF/HDF5/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
#
# [ CPP ] gcc -E -P
# [ C ] gcc -g -O2 -D_C_US -D_FORTRAN_US
# [MPICC]
# [ F90 ] ifort -assume bscc -O3 -ip -xHost
# [MPIF ]
# [ F77 ] ifort -assume bscc -O3 -ip -xHost
# [Cmain] -nofor_main
# [NoOpt] -assume bscc -O0 -xHost
#
# [ MAKE ] make
# [EDITOR] vim
#
=====================================================
Then I use "make yambo interfaces" to compile, it reports like this:
=====================================================
pw_errore.F mod_pw_data.F qexml_v4.0.f90(30): error #7013: This module file was not generated by any release of this compiler. [IOTK_MODULE]
USE iotk_module------^
qexml_v4.0.f90(61): error #6404: This name does not have a type, and must have an explicit type. [IOTK_ATTLENX]
CHARACTER(iotk_attlenx) :: attr------------^
qexml_v4.0.f90(61): error #6841: An automatic object must not appear in the specification part of a module. [ATTR]
CHARACTER(iotk_attlenx) :: attr
-----------------------------^
qexml_v4.0.f90(185): error #6632: Keyword arguments are invalid without an explicit interface. [FILE]
CALL iotk_open_read ( iunit, FILE = TRIM(filename), IERR=ierr )
---------------------------------------^
qexml_v4.0.f90(185): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_open_read ( iunit, FILE = TRIM(filename), IERR=ierr )
--------------------------------------------------------------^
qexml_v4.0.f90(199): error #6632: Keyword arguments are invalid without an explicit interface. [FILE]
CALL iotk_open_write( iunit, FILE = TRIM(filename), BINARY=binary_, IERR=ierr )
---------------------------------------^
qexml_v4.0.f90(199): error #6632: Keyword arguments are invalid without an explicit interface. [BINARY]
CALL iotk_open_write( iunit, FILE = TRIM(filename), BINARY=binary_, IERR=ierr )
--------------------------------------------------------------^
qexml_v4.0.f90(199): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_open_write( iunit, FILE = TRIM(filename), BINARY=binary_, IERR=ierr )
------------------------------------------------------------------------------^
qexml_v4.0.f90(244): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_close_read( iunit, IERR=ierr )
---------------------------------------^
qexml_v4.0.f90(248): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_close_write( iunit, IERR=ierr )
----------------------------------------^
qexml_v4.0.f90(637): error #6632: Keyword arguments are invalid without an explicit interface. [FIRST]
CALL iotk_write_attr(attr, "NAME",TRIM(fmt_name), FIRST=.TRUE.)
--------------------------------------------------------^
qexml_v4.0.f90(639): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
CALL iotk_write_empty( ounit, "FORMAT", ATTR=attr )
----------------------------------------------^
qexml_v4.0.f90(641): error #6632: Keyword arguments are invalid without an explicit interface. [FIRST]
CALL iotk_write_attr(attr, "NAME",TRIM(creator_name), FIRST=.TRUE.)
------------------------------------------------------------^
qexml_v4.0.f90(643): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
CALL iotk_write_empty( ounit, "CREATOR", ATTR=attr )
-----------------------------------------------^
qexml_v4.0.f90(704): error #6632: Keyword arguments are invalid without an explicit interface. [FIRST]
CALL iotk_write_attr( attr, "UNITS", TRIM(alat_units), FIRST = .TRUE. )
-------------------------------------------------------------^
qexml_v4.0.f90(705): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
CALL iotk_write_dat( ounit, "LATTICE_PARAMETER", alat, ATTR = attr )
-------------------------------------------------------------^
qexml_v4.0.f90(709): error #6632: Keyword arguments are invalid without an explicit interface. [FIRST]
CALL iotk_write_attr ( attr, "UNITS", TRIM(a_units), FIRST = .TRUE. )
-------------------------------------------------------------^
qexml_v4.0.f90(712): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
ATTR=attr )
-------------------------------------^
qexml_v4.0.f90(713): error #6632: Keyword arguments are invalid without an explicit interface. [COLUMNS]
CALL iotk_write_dat( ounit, "a1", a1(:) * alat, COLUMNS=3 )
--------------------------------------------------------^
qexml_v4.0.f90(714): error #6632: Keyword arguments are invalid without an explicit interface. [COLUMNS]
CALL iotk_write_dat( ounit, "a2", a2(:) * alat, COLUMNS=3 )
--------------------------------------------------------^
qexml_v4.0.f90(715): error #6632: Keyword arguments are invalid without an explicit interface. [COLUMNS]
CALL iotk_write_dat( ounit, "a3", a3(:) * alat, COLUMNS=3 )
--------------------------------------------------------^
qexml_v4.0.f90(718): error #6632: Keyword arguments are invalid without an explicit interface. [FIRST]
CALL iotk_write_attr ( attr, "UNITS", TRIM(b_units), FIRST = .TRUE. )
-------------------------------------------------------------^
qexml_v4.0.f90(721): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
ATTR=attr )
-------------------------------------^
qexml_v4.0.f90(722): error #6632: Keyword arguments are invalid without an explicit interface. [COLUMNS]
CALL iotk_write_dat( ounit, "b1", b1(:), COLUMNS=3 )
-------------------------------------------------^
qexml_v4.0.f90(723): error #6632: Keyword arguments are invalid without an explicit interface. [COLUMNS]
CALL iotk_write_dat( ounit, "b2", b2(:), COLUMNS=3 )
-------------------------------------------------^
qexml_v4.0.f90(724): error #6632: Keyword arguments are invalid without an explicit interface. [COLUMNS]
CALL iotk_write_dat( ounit, "b3", b3(:), COLUMNS=3 )
-------------------------------------------------^
qexml_v4.0.f90(763): error #6632: Keyword arguments are invalid without an explicit interface. [FIRST]
CALL iotk_write_attr ( attr, "UNITS", TRIM(amass_units), FIRST = .TRUE. )
---------------------------------------------------------------^
qexml_v4.0.f90(764): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
CALL iotk_write_empty( ounit, "UNITS_FOR_ATOMIC_MASSES", ATTR = attr )
---------------------------------------------------------------^
qexml_v4.0.f90(768): error #6404: This name does not have a type, and must have an explicit type. [IOTK_INDEX]
CALL iotk_write_begin( ounit, "SPECIE"//TRIM(iotk_index(i)) )
------------------------------------------------------^
(3310): catastrophic error: Too many errors, exiting
compilation aborted for qexml_v4.0.f90 (code 1)
make[1]: *** [qexml_v4.0.o] Error 1
make[1]: Leaving directory `/home/duanwh/app/Pz-Tang/yambo-3.3.0-rev36/interfaces/p2y'
make: *** [interfaces] Error 2
==================================================================
Is there something wrong with the iotk? And I add the config.log in the attachment.
Best wishes
Peizhe Tang
Tsinghua University, Beijing.

Dear Peize,
verify that the iotk (and so the quantum espresso package) has been compiled with the same compiler you are
using to compile yambo, i.e. intel compilers. It looks that the iotk have been compiled with a different fortran
compilers. Verify that, and if this is the case, try to recompile the iotk.I suggest you to perform a make clean
before recompile yambo.
Cheers,

Daniele

Hi Daniele,
Thank you very much.
I will have a try.
Bests
Peizhe