running problem of abinit 7.6.2 on x86_64_linux computer

option, parallelism,...

Moderators: fgoudreault, mcote

Forum rules
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Locked
sjtu_abinit
Posts: 1
Joined: Sun Mar 16, 2014 10:01 am

running problem of abinit 7.6.2 on x86_64_linux computer

Post by sjtu_abinit » Tue Mar 18, 2014 3:31 am

Hello
I am trying to install abinit 7.6.2 on my x86_64_linux_intel10.1 computer. Based on the video on the Youtube, I think I have complied the abinit successfully, but the problem appeared in the process of making, when I entered " make mj4", there were many warining just like below:

ifort: command line warning #10130: unknown extension 'o' ignored in option '-x'
ifort: command line warning #10130: unknown extension 's' ignored in option '-x'
ifort: command line warning #10130: unknown extension 't' ignored in option '-x'
ifort: command line warning #10130: unknown extension 'h' ignored in option '-x'

after that, I used the super administor to make install. when it was over, I do some test and I found that the software can not run by parallel,and when I changed from the console node to the other node, it doesn't work even.(I have set the path of the software)

Is there any problems when I complied, maked or maked install?
or do I need to set some other parameters?

Thanks in advance

the content of mei.ac:

enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/opt/mpich3"
with_netcdf_incs="-I/usr/include/"
with_netcdf_libs="-L/usr/local -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/usr/include/"
with_fft_libs="-L/opt/fftw3/lib/ -lfftw3 -lfftw3f"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_gw_dpc="yes"
Attachments
config.log
(137.02 KiB) Downloaded 294 times
Top
User avatar
jbeuken
Posts: 365
Joined: Tue Aug 18, 2009 9:24 pm
Contact:
Contact jbeuken

Re: running problem of abinit 7.6.2 on x86_64_linux computer

Post by jbeuken » Tue Mar 18, 2014 11:31 am

Hi,

first of all, versions 10.x and 11.x of ifort are no longer supported and certainly not tested with version 7.6
( working with 12.1.4 and 13.1.3 , almost with 14.0.2 )

ifort: command line warning #10130: unknown extension 'o' ignored in option '-x'
ifort: command line warning #10130: unknown extension 's' ignored in option '-x'
ifort: command line warning #10130: unknown extension 't' ignored in option '-x'
ifort: command line warning #10130: unknown extension 'h' ignored in option '-x'


build system optimization uses the compilation option "-xhost" that it's not supported with ifort 10.1

mpich3, netcdf and fftw3 are "packages/modules" or you have compiled them with ifort 10 ?

others strange things ( perhaps not important ) : the with_fft_incs and with_netcdf_incs values are not so "compatible" with libs parts
it depends how you installed these packages...

but, I would have thought to these settings :

Code: Select all

with_netcdf_incs="-I/usr/local/include/"
with_netcdf_libs="-L/usr/local/lib -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/opt/fftw3/include/"
with_fft_libs="-L/opt/fftw3/lib/ -lfftw3 -lfftw3f"


alternatively, it's possible to use fftw3 version of mkl but yet, the version mkl 10.0.3 is no longer supported ( min 10.3.x or 11.x )

finally, how do you start the parallel jobs ? what is the output ?

regards

jmb
------
Jean-Michel Beuken
Computer Scientist
Top
Locked

Return to “Configuring and compiling ABINIT”