compilation error : file mod_xc_functionals.F

[soh]

Dear all,

I am trying to compile yambo 3.3.0 r.1887, here are the details:
Compilers, Open MPI and MKL= intel-cc/2011.7.256 intel-fc/2011.7.256 openmpi-intel/1.4.3 intel-mkl/11.0.0.079
architecture = x86_64

This is the configure line and that works fine:
./configure --with-iotk=/ichec/work/tiphy018b/espresso/iotk --with-p2y=5.0
Please find attached config.log

Then when I try to make all I get the following error:

>>>[Making slatec]<<<
make[1]: Entering directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/lib/slatec'
ar: creating libslatec.a
make[1]: Leaving directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/lib/slatec'

>>>[Making blas]<<<
make[1]: Entering directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/lib/blas'
ar: creating libblas.a
make[1]: Leaving directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/lib/blas'

>>>[Making lapack]<<<
make[1]: Entering directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/lib/lapack'
ar: creating liblapack.a
make[1]: Leaving directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/lib/lapack'

>>>[Making external_c]<<<
make[1]: Entering directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/src/external_c'
ar: creating libexternal_c.a
make[1]: Leaving directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/src/external_c'

>>>[Making modules]<<<
make[1]: Entering directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/src/modules'
mod_xc_functionals.F(27): error #7013: This module file was not generated by any release of this compiler. [XC_F90_LIB_M]
use xc_f90_lib_m
-----^
mod_xc_functionals.F(46): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: conf
--------^
mod_xc_functionals.F(47): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: info
--------^
mod_xc_functionals.F(80): error #7013: This module file was not generated by any release of this compiler. [XC_F90_TYPES_M]
use xc_f90_types_m
---------^
mod_xc_functionals.F(87): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: p,info
----------^
mod_xc_functionals.F(92): error #6406: Conflicting attributes or multiple declaration of name. [XC_F90_FUNC_INIT]
call xc_f90_func_init(p,info,f(ixc)%id,nsp)
------------^
mod_xc_functionals.F(93): error #6404: This name does not have a type, and must have an explicit type. [INFO]
call xc_f90_info_name(info,f(ixc)%name)
-----------------------------^
mod_xc_functionals.F(94): error #6406: Conflicting attributes or multiple declaration of name. [XC_F90_INFO_FAMILY]
f(ixc)%family=xc_f90_info_family(info)
---------------------^
mod_xc_functionals.F(95): error #6406: Conflicting attributes or multiple declaration of name. [XC_F90_INFO_KIND]
f(ixc)%kind=xc_f90_info_kind(info)
-------------------^
mod_xc_functionals.F(98): error #6406: Conflicting attributes or multiple declaration of name. [XC_F90_INFO_FLAGS]
f(ixc)%flags=xc_f90_info_flags(info)
--------------------^
mod_xc_functionals.F(99): error #6460: This is not a field name that is defined in the encompassing structure. [CONF]
f(ixc)%conf=p
--------------^
mod_xc_functionals.F(99): error #6404: This name does not have a type, and must have an explicit type. [P]
f(ixc)%conf=p
-------------------^
mod_xc_functionals.F(100): error #6460: This is not a field name that is defined in the encompassing structure. [INFO]
f(ixc)%info=info
--------------^
mod_xc_functionals.F(81): error #6580: Name in only-list does not exist. [XC_F90_FUNC_INIT]
use xc_f90_lib_m, ONLY:xc_f90_func_init,xc_f90_info_family,&
----------------------------^
mod_xc_functionals.F(81): error #6580: Name in only-list does not exist. [XC_F90_INFO_FAMILY]
use xc_f90_lib_m, ONLY:xc_f90_func_init,xc_f90_info_family,&
---------------------------------------------^
mod_xc_functionals.F(82): error #6580: Name in only-list does not exist. [XC_F90_INFO_KIND]
xc_f90_info_kind,xc_f90_info_flags
----------^
mod_xc_functionals.F(82): error #6580: Name in only-list does not exist. [XC_F90_INFO_FLAGS]
xc_f90_info_kind,xc_f90_info_flags
---------------------------^
mod_xc_functionals.F(113): error #6404: This name does not have a type, and must have an explicit type. [XC_UNPOLARIZED]
call xc_setup_fnctl(f,functional,XC_UNPOLARIZED)
--------------------------------------^
compilation aborted for mod_xc_functionals.f90 (code 1)
make[1]: *** [mod_xc_functionals.o] Error 1
make[1]: Leaving directory `/panfs/panasas/work-tiphy018b/yambo/3.3.0_r.1887/src/modules'
make: *** [yambo] Error 2


Cheers,
Siobhan O Halloran
PhD student,
Materials Theory Group,
Tyndall National Institute,
Cork,
Ireland
siobhan.ohalloran@tyndall.ie

[Daniele Varsano]

Dear Siobhan,
it s possible you are now compiling with the intel compiler the code you were attempting
to compile first with other compiler? I suggest you to do a make clean_all and then
retry to compile. If not successful, post again your error, config etc.

Best,

Daniele

[soh]

Dear Daniele,

Yes, I had been originally using a different version of the intel compiler but I was having an issue with the pre-compiler. In any case I had only used make clean as opposed to make clean_all. That solved my problem instantly.

Thanks for your speedy response.

Cheers,
Siobhan