[SOLVED] Cannot configure Abinit v6.10.1

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
sestak
Posts: 7
Joined: Wed May 12, 2010 9:03 pm

[SOLVED] Cannot configure Abinit v6.10.1

Post by sestak » Thu Jan 12, 2012 11:50 am

Dear Abinit users,

I would like to ask what does mean the configure: error: invalid library statement. I can see this error during the configuration of the Abinit with some static library (e.g. lapack or fft libs). I tried link the code with ACML static lapack library and I got this message. I solved this by using Intel MKL dynamic library. Now I am trying link code with external fft lib and I received this error message again and does not matter if it is dynamic or static library. I will be grateful for any help.

Petr Sestak

User avatar
pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: Cannot configure Abinit v6.10.1

Post by pouillon » Thu Jan 12, 2012 12:25 pm

Would be great if you told us at least how you run configure ...
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

sestak
Posts: 7
Joined: Wed May 12, 2010 9:03 pm

Re: Cannot configure Abinit v6.10.1

Post by sestak » Thu Jan 12, 2012 1:15 pm

Thanks for answer.
I run configuration script: ./configure --with-dft-flavor="none" --with-trio-flavor="none".

I cannot upload entire file with my configuration settings. The extension is not allowed. So, my samples with lapack and fft follows:

Code: Select all

# ---------------------------------------------------------------------------- #
# Linear algebra connector                                                     #
# ---------------------------------------------------------------------------- #

# Flavor of linear algebra libraries to use (default is netlib)
#
# Supported libraries:
#
#   * acml
#   * asl
#   * atlas
#   * custom    (just check, do not try to detect)
#   * essl
#   * goto      (using GotoBLAS and Netlib's LAPACK)
#   * mkl
#   * mlib
#   * netlib
#   * none      (disable external linear algebra support)
#   * scalapack (enable ScaLAPACK support)
#   * sgimath
#   * sunperf
#
# You may combine "scalapack" with any other flavor, using '+' as a
# separator
#
# Note: "custom" also works when the Fortran compiler provides a full
#       BLAS+LAPACK implementation internally (e.g. Lahey Fortran)
#
# Note: the include and link flags for ScaLAPACK have to be specified
#       with those of BLAS and LAPACK (see options below)
#
# Note: please consult the MKL link line advisor if you experience
#       problems with MKL, by going to
#       http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
#
with_linalg_flavor="acml"

# Include flags for the external linear algebra libraries
#
with_linalg_incs="-I/opt/acml5.0.0/ifort64/include"

# Link flags for the external linear algebra libraries (default is unset)
#
with_linalg_libs="/opt/acml5.0.0/ifort64/lib/libacml.a"

# ---------------------------------------------------------------------------- #
# FFT connector                                                                #
# ---------------------------------------------------------------------------- #

# Flavor of FFT library to support (default is unset)
#
# Supported libraries:
#
#   * asl
#   * custom        (bypass build-system checks)
#   * fftw2
#   * fftw2-threads
#   * fftw3
#   * fftw3-mkl
#   * fftw3-threads
#   * none          (disable external FFT support)
#   * sgimath
#
# Notes:
#
#   * By default, Abinit will use the internal Goedecker FFT library
#   * This is highly experimental - USE AT YOUR OWN RISKS!
#
with_fft_flavor="fftw3"

# Include flags for the FFT library (default is unset)
#
#with_fft_incs=""

# Link flags for the FFT library (default is unset)
#
with_fft_libs="/opt/shared_libs/lib/libfftw3"


Petr Sestak

User avatar
pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: Cannot configure Abinit v6.10.1

Post by pouillon » Thu Jan 12, 2012 1:28 pm

You have to specify the library flags as "-L/path/to/lib/dir -lname", as shown in the numerous examples you can find in doc/config/build-config.ac.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

sestak
Posts: 7
Joined: Wed May 12, 2010 9:03 pm

Re: Cannot configure Abinit v6.10.1

Post by sestak » Thu Jan 12, 2012 2:07 pm

Thanks,

yes I had a wrong line (with_fft_libs="/opt/shared_libs/lib/libfftw3"). I changed it to "with_fft_libs="-L/opt/shared_libs/lib -lfftw3" and now the FFT libs are OK. However I thought that the style "-L/path/to/lib/dir -lname" is used to link dynamic libs not static. The ACML is static lib (with_linalg_libs="/opt/acml5.0.0/ifort64/lib/libacml.a"). I would like to know what to do if I want to make static link ACML and FFT libs.

Petr Sestak

User avatar
jbeuken
Posts: 365
Joined: Tue Aug 18, 2009 9:24 pm
Contact:

Re: Cannot configure Abinit v6.10.1

Post by jbeuken » Thu Jan 12, 2012 10:25 pm

Hi,

sestak wrote:yes I had a wrong line (with_fft_libs="/opt/shared_libs/lib/libfftw3"). I changed it to "with_fft_libs="-L/opt/shared_libs/lib -lfftw3" and now the FFT libs are OK. However I thought that the style "-L/path/to/lib/dir -lname" is used to link dynamic libs not static. The ACML is static lib (with_linalg_libs="/opt/acml5.0.0/ifort64/lib/libacml.a"). I would like to know what to do if I want to make static link ACML and FFT libs.


concerning the ACML lib, it is preferable to use the 4.4 version ( I tested the 5.0 but there are numerous errors with test suite )

Code: Select all

with_linalg_flavor = custom
with_linalg_libs = -L/opt/acml4.4.0/ifort64/lib -lacml


rem :
I think that "-L/path/to/lib/dir -lname" is used to link static lib
it's equivalent to : /path/to/lib/dir/libname.a

but, in the final link, if the *.so libs also exist in the "/path/to/lib/dir/" , the link will be dynamic

regards

jmb
------
Jean-Michel Beuken
Computer Scientist

sestak
Posts: 7
Joined: Wed May 12, 2010 9:03 pm

Re: Cannot configure Abinit v6.10.1

Post by sestak » Sat Jan 14, 2012 10:06 am

Hi jmb and Yann,

many thanks for all your advices. I was playing with configuring/compiling/linking almost entire last day and now everything is alright including all tests (v1-v6). Thanks for advice about ACML libs, with the ACML 5.0.0 the several tests failed (four or five probably) during the automatic tests (make tests_min4). I switched to MKL intel libs and now all tests are OK.

Petr Sestak

Locked