[CP2K-user] [CP2K:16435] LibXC wrap error during cp2k compilation
mayank...@gmail.com
mayank.dodia at gmail.com
Thu Jan 6 18:26:04 UTC 2022
Hi,
I am trying to recompile v10.0 code (git:26f8803) with intel compiler
(v20.0).
I am using the toolchain script with following commands options:
./install_cp2k_toolchain.sh --with-intelmpi=system --with-mkl=system
--with-plumed --with-hdf5=install
After sourcing the newly created setup file, I ran the sample
Linux-x86-64-intel.psmp arch file with LibInt commented out for testing
purposes. However during run I encountered the following error:
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(33): error #7013: This module file was
not generated by any release of this compiler. [XC_F03_LIB_M]
USE xc_f03_lib_m, ONLY: xc_f03_func_end, &
-------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(159): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_INFO_T]
TYPE(xc_f03_func_info_t), INTENT(IN) :: xc_info
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(167): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_REFERENCE_T]
TYPE(xc_f03_func_reference_t) :: xc_ref
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(207): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_INFO_T]
TYPE(xc_f03_func_info_t), INTENT(IN) :: xc_info
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(221): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_REFERENCE_T]
TYPE(xc_f03_func_reference_t) :: xc_ref
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(383): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_INFO_T]
TYPE(xc_f03_func_info_t) :: xc_info
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(408): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_INFO_T]
TYPE(xc_f03_func_info_t) :: xc_info
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(409): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_T]
TYPE(xc_f03_func_t) :: xc_func
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(449): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_T]
TYPE(xc_f03_func_t), INTENT(INOUT) :: xc_func
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(450): error #6406: Conflicting
attributes or multiple declaration of name. [XC_F03_FUNC_INFO_T]
TYPE(xc_f03_func_info_t), INTENT(IN) :: xc_info
-----------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(33): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_END]
USE xc_f03_lib_m, ONLY: xc_f03_func_end, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(34): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_INIT]
xc_f03_func_init, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(35): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNCTIONAL_GET_NAME]
xc_f03_functional_get_name, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(36): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_SET_EXT_PARAMS]
xc_f03_func_set_ext_params, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(37): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNCTIONAL_GET_NUMBER]
xc_f03_functional_get_number, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(38): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_AVAILABLE_FUNCTIONAL_NUMBERS]
xc_f03_available_functional_numbers, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(39): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_AVAILABLE_FUNCTIONAL_NAMES]
xc_f03_available_functional_names, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(40): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_MAXIMUM_NAME_LENGTH]
xc_f03_maximum_name_length, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(41): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_NUMBER_OF_FUNCTIONALS]
xc_f03_number_of_functionals, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(43): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_GGA_EXC]
xc_f03_gga_exc, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(44): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_GGA_EXC_VXC]
xc_f03_gga_exc_vxc, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(45): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_GGA_EXC_VXC_FXC]
xc_f03_gga_exc_vxc_fxc, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(46): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_GGA_FXC]
xc_f03_gga_fxc, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(47): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_GGA_VXC]
xc_f03_gga_vxc, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(48): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_GGA_VXC_FXC]
xc_f03_gga_vxc_fxc, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(50): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_GET_INFO]
xc_f03_func_get_info, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(51): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_INFO_GET_FAMILY]
xc_f03_func_info_get_family, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(52): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_INFO_GET_KIND]
xc_f03_func_info_get_kind, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(53): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_INFO_GET_NAME]
xc_f03_func_info_get_name, &
---------------------------^
<<$DIR>>/cp2k/src/xc/xc_libxc_wrap.F(54): error #6580: Name in only-list
does not exist or is not accessible. [XC_F03_FUNC_INFO_GET_REFERENCES]
xc_f03_func_info_get_references, &
I guess this is an issue with the xc_libxc_warp.F file. Does anyone have
any suggestions/ideas on how resolve this? I am able to compile the minimal
intel example
provided.
Best Regards,
Mayank
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/0755a1ff-284f-4316-85d2-3169f01ad0f8n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220106/15df5769/attachment.htm>
More information about the CP2K-user
mailing list