The ABINIT Users Mailing List ( CLOSED )

[Aritz Leonardo Liceranzu <leonardoal@missouri.edu>]

Hi Yann,

You cannot imagine how big my ignorance is in general, and in particular when it comes to clusters and computer science.

The modification of the compiler's flags that you told me worked perfectly! Everything compiled and parallel tests seem to execute properly.

Thanks a lot!
Aritz


Yann Pouillon wrote:

20091021082127.yyvlxt62o08w0ogw@www.ehu.es" type="cite">

Hi,

leonardoal@missouri.edu ha escrito:

  

I am trying to compile abinit and I am incapable. I am pretty sure   
that is due
to my huge ignorance but after surfing the archive and googling   
during one week
I still did not have success.
    

This is not due to your ignorance. I'm explaining below.

  

The configure log gives the error:

configure:10235: /opt/mpich2-intel-11//bin/mpicc -E  conftest.c
configure:10242: $? = 0
configure:10273: /opt/mpich2-intel-11//bin/mpicc -E  conftest.c
conftest.c(16): error #5: could not open source file "ac_nonexistent.h"
  #include <ac_nonexistent.h>
			     ^

configure:10280: $? = 2
    

This error is not linked to your problem. It is supposed to happen, as  
it is a test to determine the behaviour of the compiler to  
non-existing header files (hence the name: ac_nonexistent.h).

  

ANY HELP IS WELCOME and THANK YOU ALL IN ADVANCE.
    

Here it is.

The build of Abinit fails because the build system mistakenly detects  
icc as being gcc (abi_cc_vendor=gnu), and then applies optimization  
flags for gcc (see e.g. CFLAGS_OPT), which in turn causes the build of  
NetCDF and LibXC to fail. This came out as a side effect of the  
efforts of Intel to be more compatible with GCC, and unfortunately I  
fixed it after the release of Abinit 5.8.4.

The workaround is to use the following configure options:

   * --with-cc-optflags="-O2"
   * --with-cxx-optflags="-O2"

This problem will not appear anymore in future versions of Abinit, and  
you will then be able to let again the build system automatically set  
the optimizations for Intel compilers.

Best regards,

Yann.