Compile yambo-5.0.2

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani

Forum rules
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
Post Reply
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”
You do not have the required permissions to view the files attached to this post.
yifei liu
PhD student
Beijing Institute of Technology,China
Top
andrea.ferretti
Posts: 206
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
Top
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
You do not have the required permissions to view the files attached to this post.
yifei liu
PhD student
Beijing Institute of Technology,China
Top
Post Reply

Return to “Compilation”