Hello,
I am trying to install Siesta-5.2 (git clone version) with Intel oneapi (llvm
compilers). I get the following error while building Siesta: with (cmake
--build _build -j 4)
--------------------------------------------------------------------
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(107): error #7013: This module
file was not generated by any release of this compiler. [XC_F03_LIB_M]
use xc_f03_lib_m
--------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(118): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(in) :: D(nspin) ! Electron density (matrix)
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(119): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(out):: EPSX ! Exchange energy per electron
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(120): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(out):: EPSC ! Correlation energy per electron
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(121): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(out):: VX(nspin) ! Exchange potential
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(122): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(out):: VC(nspin) ! Correlation potential
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(123): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(out):: DVXDN(nspin,nspin) ! dVX(spin1)/dDens(spin2)
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(124): error #6683: A kind type
parameter must be a compile-time constant. [DP]
real(dp),intent(out):: DVCDN(nspin,nspin) ! dVC(spin1)/dDens(spin2)
---------^
/Siesta-5.2/External/libgridxc/src/ldaxc.F90(128): error #6457: This derived
type name has not been declared. [XC_F03_FUNC_T]
--Truncated ---
------------------------------------------
I am using intelllvm.cmake toolchain with mpiifx and mpiicx compilers. cmake
build command identifies libxc version 5.2.3 installed, and compatible.
Is anyone else facing a similar problem?
Also under Tools/install_deps.sh the path for libxc-6.2.2 needs to be
updated.
regards,
Anshu
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
