Dear Fabrizio,
I am compiling with libxc 5.0.0, which I installed previously. But
because the first attempt was not successful, I used the followig
recipe, that I found sometime ago:
- run configure without any libxc flag
- go to the make.inc file and, by following the comments inside, add the
needed flags to DFLAGS, IFLAGS and LD_LIBS.
Do you think that it is better not to use libxc at all?
José C. Conesa
El 26/01/2021 a las 19:10, Fabrizio Ferrari escribió:
Hello,
are you compiling with libxc? Which version?
Fabrizio
On Tue, Jan 26, 2021 at 6:39 PM José Carlos Conesa Cegarra
<jccon...@icp.csic.es <mailto:jccon...@icp.csic.es>> wrote:
Dear all,
I tried compiling qe-6.7. The compilation fails with a number of
messages like these:
funct.f90(40): error #7002: Error in opening the compiled module
file.
Check INCLUDE paths. [XC_F03_LIB_M]
USE xc_f03_lib_m
------^
funct.f90(424): error #6457: This derived type name has not been
declared. [XC_F03_FUNC_T]
TYPE(xc_f03_func_t) :: xc_func03
---------^
funct.f90(776): error #6404: This name does not have a type, and must
have an explicit type. [XC_FUNC03]
CALL xc_f03_func_init( xc_func03, id_vec(ii), 1 )
-------------------------------^
funct.f90(926): error #6054: A CHARACTER data type is required in
this
context. [XC_F03_FUNCTIONAL_GET_NAME]
name = xc_f03_functional_get_name( i )
--------------^
funct.f90(962): error #6601: In a CASE statement, the case-value
must be
a constant expression. [XC_FAMILY_GGA]
CASE( XC_FAMILY_GGA, XC_FAMILY_HYB_GGA )
----------------^
funct.f90(962): error #6612: In a CASE statement, the case-value
must be
of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_GGA]
CASE( XC_FAMILY_GGA, XC_FAMILY_HYB_GGA )
----------------^
funct.f90(962): error #6611: The case-value must be of the same
type as
the case-expr. [XC_FAMILY_GGA]
CASE( XC_FAMILY_GGA, XC_FAMILY_HYB_GGA )
----------------^
All of them relate to funct.f90. Maybe the key issue relates to error
#7002; but I could not find any module named xc_f03_lib_m.mod.
Which can
be the reason?
Regards,
José C. Conesa
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--
José C. Conesa
Research Professor
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie, 2; Campus de Cantoblanco
28028 Madrid (Spain)
Phone +34 915854766
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