compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

option, parallelism,...

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lorenzodona
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compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by lorenzodona » Tue Jun 10, 2014 11:26 am

Dear users and developers excuse me if I bother you again but I am not able to compile and install ABINIT 7.6.4 on Mac OS X 10.9.3 with Intel compiler 14
I have two big problem the first is I am not able to compile ABINIT in serial I have a lot of
Undefined symbols for architecture x86_64:
I used 64 bit version of itel compiler
MacBook-Pro-di-Lorenzo-Dona:~ lorenzodona$ which ifort
/opt/intel/composer_xe_2013_sp1.3.166/bin/intel64/ifort
which icc
/opt/intel/composer_xe_2013_sp1.3.166/bin/intel64/icc
which icpc
/opt/intel/composer_xe_2013_sp1.3.166/bin/intel64/icpc

the second big problem is that I am not able to compile ABINIT with mpi compiled with intel compiler i compiled it with intel compiler without problem and after make check no problem found.
i also did
export PATH=/Users/lorenzodona/openmpi_intel/bin:$PATH
MacBook-Pro-di-Lorenzo-Dona:~ lorenzodona$ which mpif90
/Users/lorenzodona/openmpi_intel/bin/mpif90
MacBook-Pro-di-Lorenzo-Dona:~ lorenzodona$ mpif90 -v
ifort version 14.0.3.
when I try ./configure --enable-mpi --with-mpi-prefix
i found
checking whether to enable OpenMP support... no
checking whether to build MPI code... yes
checking whether the C compiler supports MPI... no
checking whether the C++ compiler supports MPI... no
checking whether the Fortran Compiler supports MPI... yes
checking whether MPI is usable... no

I attached the error found compiling ABINIT in serial and the config.log of parallel.

You helped me a lot of time in past please really can you help again because I tried in a lot of different way but without success.
I ask to you a really big big help.
And excuse me if I bother you again here.
But I am desperate because i don't know what i wrong.
Thanks a lot lorenzo
Attachments
config.log
(107.43 KiB) Downloaded 424 times
error abinit.log
(11.32 KiB) Downloaded 354 times

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pouillon
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Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by pouillon » Thu Jun 12, 2014 10:00 am

Please try with the following and let us know if it solves your problem:

Code: Select all

../configure ... <your options> ... CC_LDFLAGS="-Wl,-Rdynamic" FC_LDFLAGS="-Wl,-Rdynamic"
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

lorenzodona
Posts: 36
Joined: Tue May 14, 2013 12:04 am

Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by lorenzodona » Thu Jun 12, 2014 11:39 am

Dear pouillon thanks to help me but it doesn't work again
in serial with :
./configure FC=ifort CC=icc CXX=icpc CC_LDFLAGS="-Wl,-Rdynamic" FC_LDFLAGS="-Wl,-Rdynamic"
i found this error:
ld: unknown option: -Rdynamic
make[5]: *** [aim] Error 1
make[5]: *** Waiting for unfinished jobs....
ipo: warning #11016: Warning unknown option -Rdynamic
ipo: warning #11016: Warning unknown option -Rdynamic
ipo: warning #11016: Warning unknown option -Rdynamic
ld: unknown option: -Rdynamic
make[5]: *** [anaddb] Error 1
ld: unknown option: -Rdynamic
make[5]: *** [abinit] Error 1
make[4]: *** [all-recursive] Error 1
make[3]: *** [all-recursive] Error 1
make[2]: *** [all] Error 2
make[1]: *** [multi] Error 2
make: *** [mj4] Error 2

and in parallel i am not able to configure it:
with
./configure -enable-mpi --with-mpi-prefix=/Users/lorenzodona/openmpi_intel CC_LDFLAGS="-Wl,-Rdynamic" FC_LDFLAGS="-Wl,-Rdynamic"

i found

==============================================================================
=== Multicore architecture support ===
==============================================================================

checking whether to enable OpenMP support... no
checking whether to build MPI code... yes
checking whether the C compiler supports MPI... no
checking whether the C++ compiler supports MPI... no
checking whether the Fortran Compiler supports MPI... no
checking whether MPI is usable... no
configure: error: MPI support is broken - please fix your config parameters and/or MPI installation

really thanks to help me but I don't know what can I do.
really thanks please if you can helm me again.
thanks a lot for your patience
lorenzo

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pouillon
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Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by pouillon » Thu Jun 12, 2014 12:23 pm

The flag has another name on Mac, but since I'm not a Mac user, I failed in remembering it. I'll try to find the correct one.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

lorenzodona
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Joined: Tue May 14, 2013 12:04 am

Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by lorenzodona » Thu Jun 12, 2014 1:28 pm

Thanks I will wait for your help but do you have some ideas why i am not able to compile abinit with openmpi installed with intel compiler.
thanks write me soon if you can.
dearly lorenzo

lorenzodona
Posts: 36
Joined: Tue May 14, 2013 12:04 am

Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by lorenzodona » Wed Jun 25, 2014 12:03 pm

Dear Pouillon excuse me a lot if I bother you but do you have found the flags to compile abinit on mac with intel compiler?
Thanks again for your patience with me.
Dearly lorenzo

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pouillon
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Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by pouillon » Wed Jun 25, 2014 2:27 pm

Actually, this question has already been answered by Jean-Michel Beuken: viewtopic.php?f=3&t=2674

Please follow the instructions carefully and your problem should get solved.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

lorenzodona
Posts: 36
Joined: Tue May 14, 2013 12:04 am

Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by lorenzodona » Wed Jun 25, 2014 8:52 pm

Thanks
I followed all instructions of the post of Jean-Michel Beuken but without success and I don't know what can I do again.
Thanks to help me
Dearly lorenzo

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pouillon
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Re: compiling ABINIT 7.6.4 on MAC OSx with Intel compiler

Post by pouillon » Thu Jun 26, 2014 9:55 am

Then it is most likely that your problem has nothing to do with Abinit, but is connected to your development environment. I suggest you to get help from a Mac expert around you to fix the issue, which should be useful not only for Abinit, but also for any code you would like to compile in the future.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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