Stucked in Making modules when configuring Yambo-5.0.2

[ljzhou86]

Dear Sir

I configured Yambo-5.0.2 by using intel-2018 and the following options:
./configure FC=ifort CC=icc --enable-slepc-linalg --enable-par-linalg --enable-mpi --enable-open-mp --enable-memory-profile --enable-uspp --enable-netcdf-hdf5 --enable-hdf5-compression --enable-hdf5-p2y-support --enable-hdf5-par-io --enable-memory-profile --enable-time-profile --enable-debug-flags --with-blas-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --with-lapack-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"

However, I was blocked at the step of "Making modules" as
>>>[Making modules]<<<
Warning #2216: '=' assumed following macro name "_libmodules" in command-line definition

make[1]: Entering directory `/opt/packages/yambo/5.0.2/slep-502/src/modules'
mod_xc_functionals.f90(29): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [XC_F90_LIB_M]
use xc_f90_lib_m
-----^
mod_xc_functionals.f90(30): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [XC_F90_TYPES_M]
use xc_f90_types_m
-----^
mod_xc_functionals.f90(31): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [LIBXC_FUNCS_M]
use libxc_funcs_m
-----^
mod_xc_functionals.f90(82): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [LIBXC_FUNCS_M]
use libxc_funcs_m, ONLY: XC_LDA_X, XC_LDA_C_PW
---------^
mod_xc_functionals.f90(82): error #6580: Name in only-list does not exist or is not accessible. [XC_LDA_X]
use libxc_funcs_m, ONLY: XC_LDA_X, XC_LDA_C_PW
------------------------------^
mod_xc_functionals.f90(82): error #6580: Name in only-list does not exist or is not accessible. [XC_LDA_C_PW]
use libxc_funcs_m, ONLY: XC_LDA_X, XC_LDA_C_PW
----------------------------------------^
mod_xc_functionals.f90(62): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: conf
--------^
mod_xc_functionals.f90(63): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: info
--------^
mod_xc_functionals.f90(126): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [XC_F90_TYPES_M]
use xc_f90_types_m
---------^
mod_xc_functionals.f90(127): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [XC_F90_LIB_M]
use xc_f90_lib_m, ONLY:xc_f90_func_init,xc_f90_info_family,&
---------^
mod_xc_functionals.f90(133): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: p,info
----------^
mod_xc_functionals.f90(153): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [XC_F90_TYPES_M]
use xc_f90_types_m
---------^
mod_xc_functionals.f90(154): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [XC_F90_LIB_M]
use xc_f90_lib_m, ONLY:xc_f90_hyb_gga_xc_hse_set_par,&
---------^
mod_xc_functionals.f90(162): error #6683: A kind type parameter must be a compile-time constant. [XC_F90_KIND]
real(xc_f90_kind) :: exx_frac_, exx_screen_
----------^
mod_xc_functionals.f90(138): error #6404: This name does not have a type, and must have an explicit type. [P]
call xc_f90_func_init(p,info,f(ixc)%id,nsp)
-----------------------------^
mod_xc_functionals.f90(138): error #6404: This name does not have a type, and must have an explicit type. [INFO]
call xc_f90_func_init(p,info,f(ixc)%id,nsp)
-------------------------------^
mod_xc_functionals.f90(140): error #6404: This name does not have a type, and must have an explicit type. [XC_F90_INFO_FAMILY]
f(ixc)%family=xc_f90_info_family(info)
---------------------^
mod_xc_functionals.f90(141): error #6404: This name does not have a type, and must have an explicit type. [XC_F90_INFO_KIND]
f(ixc)%kind=xc_f90_info_kind(info)
-------------------^
mod_xc_functionals.f90(144): error #6404: This name does not have a type, and must have an explicit type. [XC_F90_INFO_FLAGS]
f(ixc)%flags=xc_f90_info_flags(info)
--------------------^
mod_xc_functionals.f90(145): error #6460: This is not a field name that is defined in the encompassing structure. [CONF]
f(ixc)%conf=p
--------------^
mod_xc_functionals.f90(146): error #6460: This is not a field name that is defined in the encompassing structure. [INFO]
f(ixc)%info=info
--------------^
mod_xc_functionals.f90(127): error #6580: Name in only-list does not exist or is not accessible. [XC_F90_FUNC_INIT]
use xc_f90_lib_m, ONLY:xc_f90_func_init,xc_f90_info_family,&
----------------------------^
mod_xc_functionals.f90(127): error #6580: Name in only-list does not exist or is not accessible. [XC_F90_INFO_FAMILY]
use xc_f90_lib_m, ONLY:xc_f90_func_init,xc_f90_info_family,&
---------------------------------------------^
mod_xc_functionals.f90(128): error #6580: Name in only-list does not exist or is not accessible. [XC_F90_INFO_KIND]
xc_f90_info_kind,xc_f90_info_flags,xc_f90_hyb_exx_coef
----------^
mod_xc_functionals.f90(128): error #6580: Name in only-list does not exist or is not accessible. [XC_F90_INFO_FLAGS]
xc_f90_info_kind,xc_f90_info_flags,xc_f90_hyb_exx_coef
---------------------------^
mod_xc_functionals.f90(128): error #6580: Name in only-list does not exist or is not accessible. [XC_F90_HYB_EXX_COEF]
xc_f90_info_kind,xc_f90_info_flags,xc_f90_hyb_exx_coef
---------------------------------------------^
mod_xc_functionals.f90(167): error #6404: This name does not have a type, and must have an explicit type. [XC_FAMILY_HYB_GGA]
if (f(ixc)%family.ne.XC_FAMILY_HYB_GGA) return
----------------------------^
mod_xc_functionals.f90(170): error #6406: Conflicting attributes or multiple declaration of name. [XC_HYB_GGA_XC_HSE06]
if (XC_libxcID(f(ixc)%id,ixc)==XC_HYB_GGA_XC_HSE06) &
--------------------------------------^
mod_xc_functionals.f90(171): error #6406: Conflicting attributes or multiple declaration of name. [XC_F90_HYB_GGA_XC_HSE_SET_PAR]
& call xc_f90_hyb_gga_xc_hse_set_par(f(ixc)%conf,exx_frac_,exx_screen_)
--------------^
mod_xc_functionals.f90(172): error #6406: Conflicting attributes or multiple declaration of name. [XC_HYB_GGA_XC_PBEH]
if (XC_libxcID(f(ixc)%id,ixc)==XC_HYB_GGA_XC_PBEH) &
--------------------------------------^
mod_xc_functionals.f90(201): catastrophic error: Too many errors, exiting
compilation aborted for mod_xc_functionals.f90 (code 1)
make[1]: *** [mod_xc_functionals.o] Error 1
make[1]: Leaving directory `/opt/packages/yambo/5.0.2/slep-502/src/modules'
make: *** [yambo] Error 2


I noticed that if I removed the option "--enable-slepc-linalg", it worked well with me. I guess it is associated with the slepc option. Could you tell me how to fix this issue?

Thanks a lot.

[Daniele Varsano]

Dear Zhou,

it is strange as the problem seems related with the libxc library so independent on the slepc option.
Can you attach the config.log file?

Best,
Daniele

[ljzhou86]

Dear Daniele

please see the attached config.log and parse it. Thanks

[Daniele Varsano]

Dear Zhou,

it seems configure makes some confusion about the libxc.
Can you try to recompile after doing:

Code: Select all

make distclean

Best,
Daniele