Compile yambo-5.0.2

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
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shan dong
Posts: 48
Joined: Thu Oct 17, 2019 5:26 am

Compile yambo-5.0.2

Post by shan dong » 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”
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yifei liu
PhD student
Beijing Institute of Technology,China
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andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: Compile yambo-5.0.2

Post by andrea.ferretti » Sun Apr 25, 2021 12:06 pm

Dear Shan Dong,

You are configuring and compiling against an external version of iotk (from qe, via the flag —with-iotk-path=...).

The error message states that the existing iotk module file is not readable, thereby breaking compilation.

Just drop the —with-iotk-path flag to trigger internal compilation of iotk (need to reconfigure)

Take care
Andrea
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it
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shan dong
Posts: 48
Joined: Thu Oct 17, 2019 5:26 am

Re: Compile yambo-5.0.2

Post by shan dong » Sun Apr 25, 2021 4:22 pm

andrea.ferretti wrote: ↑Sun Apr 25, 2021 12:06 pm Dear Shan Dong,

You are configuring and compiling against an external version of iotk (from qe, via the flag —with-iotk-path=...).

The error message states that the existing iotk module file is not readable, thereby breaking compilation.

Just drop the —with-iotk-path flag to trigger internal compilation of iotk (need to reconfigure)

Take care
Andrea
Dear Andrea,
Thanks for your reply, I have dropped the —with-iotk-path flag ,then

make[2]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/src/bse”
make[2]: 进入目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/src/bse”
K_blocks.f90(109): error #6683: A kind type parameter must be a compile-time constant. [IPL]
integer(IPL) :: HOST_SIZE(1),TMP_SIZE,LOCAL_SIZE(1)
---------^
K_blocks.f90(115): error #6683: A kind type parameter must be a compile-time constant. [IPL]
integer(IPL) :: local_steps
---------^
K_blocks.f90(162): error #6683: A kind type parameter must be a compile-time constant. [IPL]
TMP_SIZE=TMP_SIZE+int(BS_T_grp(i_T)%size*BS_T_grp(j_T)%size,IPL)
-------------------------------------------------------------------^
K_blocks.f90(162): warning #7319: This argument's data type is incompatible with this intrinsic procedure; procedure assumed EXTERNAL. [INT]
TMP_SIZE=TMP_SIZE+int(BS_T_grp(i_T)%size*BS_T_grp(j_T)%size,IPL)
-------------------------------------------------------------------^
K_blocks.f90(162): error #6404: This name does not have a type, and must have an explicit type. [INT]
TMP_SIZE=TMP_SIZE+int(BS_T_grp(i_T)%size*BS_T_grp(j_T)%size,IPL)
-------------------------^
K_blocks.f90(207): error #6633: The type of the actual argument differs from the type of the dummy argument. [HOST_SIZE]
call MEM_global_mesg("BS_MAT",kind(BS_MAT),HOST_SIZE)
-------------------------------------------------^
compilation aborted for K_blocks.f90 (code 1)
make[2]: *** [K_blocks.o] 错误 1
make[2]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2/src/bse”
make[1]: *** [yambo] 错误 2
make[1]: 离开目录“/home2/ycli/ds/yambo-5.0.2/intel/yambo-5.0.2”
yambo build failed
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yifei liu
PhD student
Beijing Institute of Technology,China
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