compilation error on HPC

[vitoversace]

Dear all,

Following problem :

when using mpiifort for compilation of yambo on HPC i get this error :
> configure: error: Found precompiler problems in processing the F90/C
> source.

I tried different compilers and preprocessors. As soon as I set FC=ifort or FC=mpiifort this problem arises, since yambo is using "-tpp7" as a default flag when it detects
an Intel Compiler, I guess the whole configuration script is not updated to Intel Compiler 2013 yet (tpp7 no longer exists as flag).

Any suggestion ?
(compilation in parallel, all intel 13.X, 3.4.1 yambo version, 64 Bit arch.)


Bests
Vito

[Daniele Varsano]

Dear Vito,

you can try to overwrite the default flag.
Before your ./configure command you can put for instance:

Code: Select all

export MKL_LIB=$MKLROOT/lib/intel64
export CC=icc
export CXX=icpc
export F77=ifort
export F90=ifort
export PFC=mpiifort
export CFLAGS=-O3
export FCFLAGS=" -O2 -assume buffered_io,byterecl"
export FFLAGS=" -O2 -assume buffered_io,byterecl"
export FFLAGS_NOOPT=" -O0 -assume buffered_io,byterecl"
export UFFLAGS='-assume bscc -O0'

This script works to me.
Hope it helps,

Daniele

[vitoversace]

Dear Daniele,

The script did not help.
I used this one :

./configure --with-iotk='/home/vito/espresso-5.0.2/iotk' --with-p2y=5.0 PFC=mpiifort CC=gcc FC=ifort F77=ifort
and got this error :

configure: testing preprocessor gcc -E -P
checking if precompiler works on C source... yes
checking if precompiler works on F90 source... no
configure: error: Found precompiler problems in processing the F90/C source.

It seems yambo does not like FC=ifort. When i discard FC=ifort and instead use gfortran ( that i do not want to use) , it configures but at compilation i get several other errors like :

>>>[Making modules]<<<
make[1]: Entering directory `/home/vito/megware_yambo/stable/src/modules'
mod_pars.F mod_units.F mod_stderr.F mod_parallel.F mod_wrapper.F mod_fields.F mod_collision.F mod_drivers.F mod_FFT.F mod_timing.F mod_logo mod_com.F mod_memory.F mod_R_lattice.F mod_matrix_operate.F mod_D_lattice.F mod_frequency.F mod_vec_operate.F mod_electrons.F mod_wave_func.F mod_interfaces.F mod_interpolate.F mod_X.F mod_functions.F mod_zeros.F mod_pseudo.F mod_BS.F mod_QP.F mod_TDDFT.F mod_ACFDT.F mod_wf_distribute.F mod_IO.F mod_fragments.F mod_xc_functionals.F(27): error #7013: This module file was not generated by any release of this compiler. [XC_F90_LIB_M]
use xc_f90_lib_m
-----^
mod_xc_functionals.F(34): error #6683: A kind type parameter must be a compile-time constant. [SP]
real(SP), public, allocatable:: magn(:,:)
------^
mod_xc_functionals.F(35): error #6683: A kind type parameter must be a compile-time constant. [SP]
real(SP), public, allocatable:: V_xc(:,:)
------^
mod_xc_functionals.F(36): error #6683: A kind type parameter must be a compile-time constant. [SP]
real(SP), public, allocatable:: E_xc(:)
------^
mod_xc_functionals.F(37): error #6683: A kind type parameter must be a compile-time constant. [SP]
real(SP), public, allocatable:: F_xc(:)
------^
mod_xc_functionals.F(45): error #8237: The character length in a component declaration shall either be a colon, be an initialization expression, or be a specification expression. [NAME]
character(lchlen) :: name
------------------------^
mod_xc_functionals.F(46): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: conf
--------^
mod_xc_functionals.F(47): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: info
--------^
mod_xc_functionals.F(80): error #7013: This module file was not generated by any release of this compiler. [XC_F90_TYPES_M]
use xc_f90_types_m
---------^
mod_xc_functionals.F(87): error #6457: This derived type name has not been declared. [XC_F90_POINTER_T]
type(xc_f90_pointer_t) :: p,info
----------^
mod_xc_functionals.F(26): error #6580: Name in only-list does not exist. [SP]
use pars, ONLY:SP,lchlen
---------------------^
mod_xc_functionals.F(45): error #6404: This name does not have a type, and must have an explicit type. [LCHLEN]
character(lchlen) :: name

Bests
Vito

[Daniele Varsano]

Dear Vito,
the idea was to overwrite the default option for the FLAGS.
Did you check in the config.log if the flags were correctly set up?

The error you have with gfortran is probably related to the configuration of the libxc, did you type make clean_all before reconfiguring and recompiling?
In any case, if you posts the config.log other than the error it helps.

Best,
Daniele

[vitoversace]

Dear Daniele,

Attached is the config.log

Ok, i managed to pass configure and compilation but now when running ./yambo i get this error :

[0] MPI startup(): dapl fabric is not available and fallback fabric is not enabled

By the way during compilation in the last two lines i get this, too

>>>[Linking yambo]<<<
make[1]: Entering directory `/home/vito/megware_yambo/stable/driver'
yambo_driver.F
ifort: command line warning #10155: ignoring option '-l'; argument required
ifort: command line warning #10155: ignoring option '-l'; argument required

Bests
Vito

[Daniele Varsano]

Dear VIto,
at first glance it does not look a problem of yambo, but of intel MPI and related library, just a guess.
You can try to look at this post here:
https://software.intel.com/en-us/forums/topic/290764

just to look if you are in the same situation.
Best,
Daniele

[vitoversace]

Dear Daniele,

I red this post before, but i don't really understand it.
Ok, if it is not a yambo related issue, i have to talk with HPC people to see what is going wrong.

Just to be sure, was every thing okay with config.log at first glance ?

Bests
Vito

[Daniele Varsano]

Dear Vito,
usually when the configure arrives at the end it means that found all the required issue to compile.
The post just said to look at the version of some libraries that are not supported anymore with the new version of MPI, and in that case to upgrade them:
" Probably your DAPL library is quite old. Intel MPI Library 4.0 doesn't support DAPL 1.1 any more. In this case you need to install new library.
Could you provide your /etc/dat.conf file?"

Best,
Daniele

[vitoversace]

Dear Daniele,

Unfortunately i don't have this file !!! Strange !
So, in this file one should see DAPL version ?

Bests
Vito

[Daniele Varsano]

Dear Vito,
no idea, may be you can ask to your system administrator for this kind of problems.
If it is a problem of yambo, may be someone else can advise you, I did not find anything strange.

Daniele