The ABINIT Users Mailing List ( CLOSED )

[Manuel Cotelo <mcotelo@gmail.com>]

Dear Sonu:

1) You pass the option -static-libxc to the intel C compiler. This
option doesn't exist. If you want a static link of all libraries, you
should pass to the compiler the option -static

2) In the configure application of ABINIT there's an option to choose
the degree of optimization: --enable-optim=standard is the default
option. For the GNU c compiler, is like -O2 option. If you want more
optimized compilation, use the option --enable-optim=aggressive of the
configure options.

3) I recommend you to use the MPI/IO in order to use the paral_kgb=1
option of ABINIT. If this option are disabled, you won't be able to do
io in paralel.


Sincerely,

********************************************************************
Manuel Cotelo Ferreiro

Universidad Politécnica de Madrid
ETSII - Instituto de Fusión Nuclear
calle José Gutiérrez Abascal 2
28006 MADRID
ESPAÑA

tlf : +34 91 336 31 08
fax : +34 91 336 30 02

email: cotelo@din.upm.es
       mcotelo@gmail.com
********************************************************************

2010/2/19 sonu kumar <so9ukumar@gmail.com>:
> Hi dear all,
>
> I seemed to  have compiled the abinit 6.0.1.
> But i have few things to ask...
>
> 1) I got a warning during "make", which is
>
> mv -f .deps/timeout.Tpo .deps/timeout.Po
> /home/hcg/Desktop/intel_fortran_plus_math_lib_mpi_sonu/MPI/mpich2-install/bin/mpicc
> -O3 -fschedule-insns2 -march=nocona -mmmx -msse -msse2 -msse3 -mfpmath=sse
> -g  -O3 -fschedule-insns2 -march=nocona -mmmx -msse -msse2 -msse3
> -mfpmath=sse    -i-static -static-libcxa  -o timeout timeout.o
> icc: command line warning #10006: ignoring unknown option
> '-fschedule-insns2'
> icc: command line warning #10120: overriding '-marchnocona' with '-msse'
> icc: command line warning #10120: overriding '-msse' with '-msse3'
> icc: command line warning #10159: invalid argument for option '-m'
> icc: command line warning #10006: ignoring unknown option
> '-fschedule-insns2'
> icc: command line warning #10120: overriding '-marchnocona' with '-msse'
> icc: command line warning #10120: overriding '-msse' with '-msse3'
> icc: command line warning #10159: invalid argument for option '-m'
> icc: command line remark #10148: option '-static-libcxa' not supported
>
> is it to be worried about ?
>
> 2) Secondly i put the optimisation flag -O2 in <hostname>.ac file for C and
> C++ compilers, but when i saw in the log file after running an example, i
> got following:
>
> === Build Information ===
>   Version       : 6.0.1
>   Build target  : x86_64_linux_intel11.1
>   Build date    : 20100208
>
>  === Compiler Suite ===
>   C compiler       : gnu
>   CFLAGS           :  -g  -O3 -fschedule-insns2 -march=nocona -mmmx -msse
> -msse2 -msse3 -mfpmath=sse
>   C++ compiler     : gnu4.3
>   CXXFLAGS         :  -g  -O3 -fschedule-insns2 -march=nocona -mmmx -msse
> -msse2 -msse3 -mfpmath=sse
>   Fortran compiler : intel11.1
>   FCFLAGS          :  -g  -extend-source -vec-report0
>   FC_LDFLAGS       :     -i-static -static-libcxa
>
>  === Optimizations ===
>   Debug level        : yes
>   Optimization level : standard
>   Architecture       : intel_xeon
>
>  === MPI ===
>   Parallel build : yes
>   Parallel I/O   : no
>
>  === Linear algebra ===
>   Library type  : mkl
>   Use ScaLAPACK : yes
>
>  === Plug-ins ===
>   BigDFT    : yes
>   ETSF I/O  : yes
>   LibXC     : yes
>   FoX       : no
>   NetCDF    : yes
>   Wannier90 : yes
>
>  === Experimental features ===
>   Bindings            : no
>   Error handlers      : no
>   Exports             : no
>   GW double-precision : yes
>   Macroave build      : yes
>
>  +++++++++++++++++++++++
>
> i want to assign -O2 flags to both c and c++. How can i do  it?
>
> 3)  i gota a warning in config.log as follows
>
> conftest  -g  -extend-source -vec-report0      -i-static -static-libcxa
> conftest.F90        >&5
> ifort: command line remark #10148: option '-static-libcxa' not supported
> configure:27054: $? = 0
> configure:27276: result: yes
> configure:27285: checking whether MPI is usable
> configure:27287: result: yes
> configure:27329: WARNING: disabling MPI I/O is not recommended
>
> Should one use MPI I/O?
>
> i am attaching config.log file and <hostname>.ac file. Please see it.
>
>
> With Warm Regards,
> Sonu kumar
>
>
>
>
>