Error for "make yambo interfaces"

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
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(3) if the problems occur compiling in serial/in parallel
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(5) the relevant compiler error message
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Peizhe
Posts: 12
Joined: Mon Feb 04, 2013 3:40 pm
Location: Stanford University

Error for "make yambo interfaces"

Post by Peizhe » Tue Mar 12, 2013 3:10 pm

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.
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Peizhe Tang, Ph.D.
Post-Doctor
Department of Physics
McCullough Building, Room 323
Stanford University
Stanford, CA 94305

User avatar
Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Error for "make yambo interfaces"

Post by Daniele Varsano » Tue Mar 12, 2013 3:30 pm

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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

Peizhe
Posts: 12
Joined: Mon Feb 04, 2013 3:40 pm
Location: Stanford University

Re: Error for "make yambo interfaces"

Post by Peizhe » Wed Mar 13, 2013 12:18 pm

Hi Daniele,
Thank you very much.
I will have a try.
Bests
Peizhe
Peizhe Tang, Ph.D.
Post-Doctor
Department of Physics
McCullough Building, Room 323
Stanford University
Stanford, CA 94305

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