Compile yambo-5.0.2
Posted: Sun Apr 25, 2021 11:47 am
Dear all,
I have compiled the yambo5.0.2 and i need the Electron Phonon Coupling part.I installed yambo by typing "./configure FC=mpiifort F77=mpiifort --enable-memory-profile --disable-open-mp --enable-iotk --with-blas-libs=-lmkl_intel_lp64 -lmkl_sequential -lmkl_core --with-lapack-libs=-lmkl_intel_lp64 -lmkl_sequential -lmkl_core --with-blacs-libs=-lmkl_blacs_intelmpi_lp64 --with-scalapack-libs=-lmkl_scalapack_lp64 --with-fft-libs=-mkl --with-iotk-path=/home/ycli/home2/ds/qe-6.6/qe6.6/iotk --enable-slepc-linalg CC=mpiicc". but when i run "make core"
>>>[Making qe_pseudo]<<<
Warning #2216: '=' assumed following macro name "_libqe_pseudo" in command-line definition
make[2]: 进入目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/lib/qe_pseudo”
read_upf_v2.f90(18): error #7012: The module file cannot be read. Its format requires a more recent F90
USE iotk_module
------------^
read_upf_v2.f90(33): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
--------^
read_upf_v2.f90(131): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(193): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(243): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(248): error #6683: A kind type parameter must be a compile-time constant. [DP]
REAL(DP):: zeros(upf%mesh)
-----------^
read_upf_v2.f90(248): error #6158: The structure-name is invalid or is missing.
REAL(DP):: zeros(upf%mesh)
-----------------------^
read_upf_v2.f90(399): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(437): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(479): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(14): error #6580: Name in only-list does not exist. [DP]
USE kinds, ONLY: DP
--------------------------------^
read_upf_v2.f90(15): error #6580: Name in only-list does not exist. [PSEUDO_UPF]
USE pseudo_types, ONLY: pseudo_upf
--------------------------------^
read_upf_v2.f90(16): error #6580: Name in only-list does not exist. [RADIAL_GRID_TYPE]
USE radial_grids, ONLY: radial_grid_type
--------------------------------^
read_upf_v2.f90(52): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
CALL iotk_open_read(u, attr=attr, root=root, ierr=ierr_)
--------------------------^
read_upf_v2.f90(52): error #6632: Keyword arguments are invalid without an explicit interface. [ROOT]
CALL iotk_open_read(u, attr=attr, root=root, ierr=ierr_)
-------------------------------------^
read_upf_v2.f90(52): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_open_read(u, attr=attr, root=root, ierr=ierr_)
------------------------------------------------^
read_upf_v2.f90(56): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_close_read(u,ierr=ierr_)
------------------------------^
read_upf_v2.f90(68): error #6632: Keyword arguments are invalid without an explicit interface. [FOUND]
CALL iotk_scan_begin(u,'PP_INFO',found=found)
------------------------------------^
read_upf_v2.f90(72): error #6404: This name does not have a type, and must have an explicit type. [UPF]
CALL read_upf_header(u, upf)
---------------------------^
read_upf_v2.f90(128): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_header(u, upf)
---------------------------------^
read_upf_v2.f90(73): error #6460: This is not a field name that is defined in the encompassing structure.
IF(upf%tpawp .and. .not. present(grid)) &
----------^
read_upf_v2.f90(189): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_mesh(u, upf, grid)
-------------------------------^
read_upf_v2.f90(87): error #6460: This is not a field name that is defined in the encompassing structure.
IF(.not. upf%tcoulombp) THEN
----------------^
read_upf_v2.f90(88): error #6460: This is not a field name that is defined in the encompassing structure.
ALLOCATE( upf%vloc(upf%mesh) )
--------------------^
read_upf_v2.f90(396): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_pswfc(u, upf)
--------------------------------^
read_upf_v2.f90(434): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_full_wfc(u, upf)
-----------------------------------^
read_upf_v2.f90(99): error #6460: This is not a field name that is defined in the encompassing structure.
ALLOCATE( upf%rho_at(upf%mesh) )
-----------------^
read_upf_v2.f90(476): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_spin_orb(u, upf)
-----------------------------------^
read_upf_v2.f90(109): error #6460: This is not a field name that is defined in the encompassing structure
ALLOCATE( upf%rho_atc(upf%mesh) )
-----------------^
read_upf_v2.f90(722): catastrophic error: Too many errors, exiting
compilation aborted for read_upf_v2.f90 (code 1)
make[2]: *** [read_upf_v2.o] 错误 1
make[2]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/lib/qe_pseudo”
make[1]: *** [yambo] 错误 2
make[1]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2”
I have compiled the yambo5.0.2 and i need the Electron Phonon Coupling part.I installed yambo by typing "./configure FC=mpiifort F77=mpiifort --enable-memory-profile --disable-open-mp --enable-iotk --with-blas-libs=-lmkl_intel_lp64 -lmkl_sequential -lmkl_core --with-lapack-libs=-lmkl_intel_lp64 -lmkl_sequential -lmkl_core --with-blacs-libs=-lmkl_blacs_intelmpi_lp64 --with-scalapack-libs=-lmkl_scalapack_lp64 --with-fft-libs=-mkl --with-iotk-path=/home/ycli/home2/ds/qe-6.6/qe6.6/iotk --enable-slepc-linalg CC=mpiicc". but when i run "make core"
>>>[Making qe_pseudo]<<<
Warning #2216: '=' assumed following macro name "_libqe_pseudo" in command-line definition
make[2]: 进入目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/lib/qe_pseudo”
read_upf_v2.f90(18): error #7012: The module file cannot be read. Its format requires a more recent F90
USE iotk_module
------------^
read_upf_v2.f90(33): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
--------^
read_upf_v2.f90(131): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(193): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(243): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(248): error #6683: A kind type parameter must be a compile-time constant. [DP]
REAL(DP):: zeros(upf%mesh)
-----------^
read_upf_v2.f90(248): error #6158: The structure-name is invalid or is missing.
REAL(DP):: zeros(upf%mesh)
-----------------------^
read_upf_v2.f90(399): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(437): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(479): error #6457: This derived type name has not been declared. [PSEUDO_UPF]
TYPE(pseudo_upf),INTENT(INOUT) :: upf ! the pseudo data
-----------^
read_upf_v2.f90(14): error #6580: Name in only-list does not exist. [DP]
USE kinds, ONLY: DP
--------------------------------^
read_upf_v2.f90(15): error #6580: Name in only-list does not exist. [PSEUDO_UPF]
USE pseudo_types, ONLY: pseudo_upf
--------------------------------^
read_upf_v2.f90(16): error #6580: Name in only-list does not exist. [RADIAL_GRID_TYPE]
USE radial_grids, ONLY: radial_grid_type
--------------------------------^
read_upf_v2.f90(52): error #6632: Keyword arguments are invalid without an explicit interface. [ATTR]
CALL iotk_open_read(u, attr=attr, root=root, ierr=ierr_)
--------------------------^
read_upf_v2.f90(52): error #6632: Keyword arguments are invalid without an explicit interface. [ROOT]
CALL iotk_open_read(u, attr=attr, root=root, ierr=ierr_)
-------------------------------------^
read_upf_v2.f90(52): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_open_read(u, attr=attr, root=root, ierr=ierr_)
------------------------------------------------^
read_upf_v2.f90(56): error #6632: Keyword arguments are invalid without an explicit interface. [IERR]
CALL iotk_close_read(u,ierr=ierr_)
------------------------------^
read_upf_v2.f90(68): error #6632: Keyword arguments are invalid without an explicit interface. [FOUND]
CALL iotk_scan_begin(u,'PP_INFO',found=found)
------------------------------------^
read_upf_v2.f90(72): error #6404: This name does not have a type, and must have an explicit type. [UPF]
CALL read_upf_header(u, upf)
---------------------------^
read_upf_v2.f90(128): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_header(u, upf)
---------------------------------^
read_upf_v2.f90(73): error #6460: This is not a field name that is defined in the encompassing structure.
IF(upf%tpawp .and. .not. present(grid)) &
----------^
read_upf_v2.f90(189): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_mesh(u, upf, grid)
-------------------------------^
read_upf_v2.f90(87): error #6460: This is not a field name that is defined in the encompassing structure.
IF(.not. upf%tcoulombp) THEN
----------------^
read_upf_v2.f90(88): error #6460: This is not a field name that is defined in the encompassing structure.
ALLOCATE( upf%vloc(upf%mesh) )
--------------------^
read_upf_v2.f90(396): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_pswfc(u, upf)
--------------------------------^
read_upf_v2.f90(434): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_full_wfc(u, upf)
-----------------------------------^
read_upf_v2.f90(99): error #6460: This is not a field name that is defined in the encompassing structure.
ALLOCATE( upf%rho_at(upf%mesh) )
-----------------^
read_upf_v2.f90(476): error #6404: This name does not have a type, and must have an explicit type. [UPF
SUBROUTINE read_upf_spin_orb(u, upf)
-----------------------------------^
read_upf_v2.f90(109): error #6460: This is not a field name that is defined in the encompassing structure
ALLOCATE( upf%rho_atc(upf%mesh) )
-----------------^
read_upf_v2.f90(722): catastrophic error: Too many errors, exiting
compilation aborted for read_upf_v2.f90 (code 1)
make[2]: *** [read_upf_v2.o] 错误 1
make[2]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/lib/qe_pseudo”
make[1]: *** [yambo] 错误 2
make[1]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2”