compilation error!

[vasp84]

Daniele, I would agree with you for every new post, but when we have a long discussion like what we have right now it does not make any sense to keep saying "Dear".... . I really thank your time and help and others as well but this is the way we do here in the US and no one has complained about it before. And it has nothing to do with politeness at all!!

Jaret Qi,
ASU

[vasp84]

Hi. From the log I do not understand where the compilations stops.

What is the error message?

Andrea

I have already posted the error at the first beginning of the post, I still have the same error every time.

Jaret,
ASU

[Daniele Varsano]

Dear Jaret,

I really thank your time and help and others as well

OK, good to know. It is not always granted.

Now, it is not easy to understand what is going on. Your config.log file indicated you are using gfortran, while in the error message you posted it looks intel compiler is in use.

mod_fragments.F ifort: ...

Next the error indicate:

This module file was not generated by any release of this compiler.

that some modules were compiled with a different compiler.
This was the reason I suggested you a make clean_all in order to delete the previous compiled modules. Note that a simple make clean does not do the job.
Try to do the make clean_all and next configure explicitly indicating the compilers and precompiler (actually it could be a precompiler problem as
it complains on the .f90 file) something like:

Code: Select all

  FC=ifort \
  F77=ifort \
  CC=icc \
  PFC=mpiifort \
  CPP='icc -E' 
   

Best,
Daniele

[vasp84]

Dear Dr. Varsano,
Thank you for your help and patience. After I unzip yambo file, this what I did:
but I got the error:
./configure\
> FC=ifort \
> F77=ifort \
> F77=ifort \
> F77=ifort \
> F77=ifort \
> CC=icc \
> CC=icc \
> PFC=mpiifort \
> CPP='icc -E'
configure: loading site script /usr/share/site/x86_64-unknown-linux-gnu
checking for gcc... icc
checking whether the C compiler works... no

[Daniele Varsano]

Dear Jaret,

let's try to start from the beginning.
Try to a do just ./configure without specifying anything and make yambo

Next post the error again and the two config.log files, the one present in the main directory and the on present in the ./lib/libxc directory.

Best,
Daniele

[andrea.ferretti]

Dear Jaret,

Is your icc compiler working?
Have you check the installation of your compilers?

[vasp84]

Dear Andrea,
I think my compilers are working since I was able to compile quantum espresso and abinit.
Dear Daniele,
I have done what you told me but the same error, I am attaching the two config.log files.

Thank you for your time!

[andrea.ferretti]

Dear Jarek,

from you config.log it seems you are using serial gnu compilers (fortran, gcc), while I am not sure about the parallel ones.
In particular, your mpif90 complains as follows:

Code: Select all

configure:9038: mpif90 -o conftest -O3 -mtune=native    conftest.f90 -g -O2 >&5
ifort: command line warning #10159: invalid argument for option '-m' 
ifort: command line warning #10120: overriding '-O3' with '-O2'

if you type:

Code: Select all

mpif90 -v 

you should be able to detect whether mpif90 was configured to work with fortran or ifort (the second option seems to be the case).
If this is the problem, make sure to have a clear gnu or intel environment before starting the configuration process.

Andrea

[vasp84]

Thank you Andrea for your time and help!

from you config.log it seems you are using serial gnu compilers (fortran, gcc), while I am not sure about the parallel ones.

I do have parallel compilers on the machine, otherwise how come I use abinit and quantum espresso and siesta on parallel?

Code: Select all

mpif90 -v 

I've got: ifort version 12.1.4

If this is the problem, make sure to have a clear gnu or intel environment before starting the configuration process.

How to do so?

[andrea.ferretti]

Dear Jaret,

I know you have parallel compilers from your config.log. My doubt was about your parallel compilers being compatible with your serial ones (gfortran + gcc).
Indeed, your mpif90 is build on top of ifort, which causes the problem.

In a standard installation, you should have available to configure a set of compatible compilers (either gnu or intel or whatever else). The usual way to do so is to set proper unix environment variables (either in your .bashrc/.cshrc or managing them e.g. via the module scripts). In case you are not familiar with this, ask your sys admin.

Now: since you have a working parallel espresso, it would be important to know if that has been built on top of the intel compilers (have a look at espresso/make.sys and check the F90, F77, CC variables). If the answer is ifort,ifort,icc, then you have a working intel parallel environment.
This is of course compatible also with yambo.

What you need to do is the following:

* every time you build f90 software switching from one compiler to another, revert to pristine distribution:
make clean_all

* try with ./configure FC=ifort CC=icc
does it work ?
take your time to look at yambo/config/report
and yambo/config/setup

if all looks fine go ahead-> make yambo
if not post config.log and the two files above

* if the above did not work try with
./configure FC=ifort CC=icc CPP="icc -E"

the more flags you specify the more difficult it is going to be...

hope it helps
Andrea