Compilation in Cray system

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message

Compilation in Cray system

Postby hplan » Mon Nov 08, 2010 6:06 pm

Hi,

I tried to build yambo-3.2.1-r448 in nersc facility with cray system, but failed.
And relevant information is as follows:

checking for Fortran libraries of ftn... -lsci_quadcore -lsma -lmpichf90 -lmpich -lpmi -lrt -L/opt/cray/pmi/1.0-1.0000.7628.10.2.ss/lib64 -L/opt/cray/mpt/4.1.0.1/xt/seastar/mpich2-pgi/lib -L/opt/xt-libsci/10.4.3/pgi/lib -L/opt/cray/mpt/4.1.0.1/xt/sma/lib -L/opt/xt-xcpe/2.2.48B/lib -L/opt/xt-pe/default/lib -L/opt/xt-xcpe/2.2.48B/lib/snos64 -L/opt/xt-pe/default/lib/snos64 -L/opt/cray/xt-sysroot/2.2.20091207/usr/lib64 -L/opt/cray/xt-sysroot/2.2.20091207/lib64 -L/opt/cray/xt-sysroot/2.2.20091207/usr/lib/alps -L/usr/lib/alps -lalpslli -lalpsutil -lportals -lpthread -L/opt/pgi/10.3.0/linux86-64/10.3/lib -L/usr/lib64 -L/usr/lib64/gcc/x86_64-suse-linux/4.1.2 -lpgf90 -lpgf90_rpm1 -lpgf902 -lpgf90rtl -lpgftnrtl -lnspgc -lpgc -lm -lgcc_eh
checking for dummy main to link with Fortran libraries... unknown
configure: error: linking to Fortran libraries from C fails
See `config.log' for more details.

And config.log file is attached.

Thanks.

Cheers,

Haiping
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Re: Compilation in Cray system

Postby andrea marini » Wed Nov 10, 2010 10:46 am

As far as I can see from the web the ftn compiler is a PGI-based compiler, right ? It is not included in the supported compilers of Yambo. I have added ftn as a PGI-like compiler in the configure attached.

Tru to using it but do not pass to the compiler the precompiler options (-D__PGI etc). The configure should find them itself. Otherwise it can get confused.

Let me know if it works.

Andrea
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Re: Compilation in Cray system

Postby hplan » Thu Nov 11, 2010 5:37 pm

Thanks, Andrea,

I tried your configure script. But it failed again, almost with the error information.

checking how to get verbose linking output from ftn... -v
checking for Fortran libraries of ftn... -L/opt/cray/pmi/1.0-1.0000.7628.10.2.ss/lib64 -L/opt/cray/mpt/4.1.0.1/xt/seastar/mpich2-pgi/lib -L/opt/xt-libsci/10.4.3/pgi/lib -L/opt/cray/mpt/4.1.0.1/xt/sma/lib -L/opt/xt-xcpe/2.2.48B/lib -L/opt/xt-pe/default/lib -L/opt/xt-xcpe/2.2.48B/lib/snos64 -L/opt/xt-pe/default/lib/snos64 -L/opt/cray/xt-sysroot/2.2.20091207/usr/lib64 -L/opt/cray/xt-sysroot/2.2.20091207/lib64 -L/opt/cray/xt-sysroot/2.2.20091207/usr/lib/alps -L/usr/lib/alps -L/opt/pgi/10.3.0/linux86-64/10.3/lib -L/usr/lib64 -L/usr/lib64/gcc/x86_64-suse-linux/4.1.2 -lsci_quadcore -lsma -lmpichf90 -lmpich -lpmi -lrt -lalpslli -lalpsutil -lportals -lpthread -lpgf90 -lpgf90_rpm1 -lpgf902 -lpgf90rtl -lpgftnrtl -lnspgc -lpgc -lm
checking for dummy main to link with Fortran libraries... unknown
configure: error: in `/global/homes/h/hplan/yambo':
configure: error: linking to Fortran libraries from C fails


I attached config.log file.
Thank you,

Best,

Haiping
andrea marini wrote:As far as I can see from the web the ftn compiler is a PGI-based compiler, right ? It is not included in the supported compilers of Yambo. I have added ftn as a PGI-like compiler in the configure attached.

Tru to using it but do not pass to the compiler the precompiler options (-D__PGI etc). The configure should find them itself. Otherwise it can get confused.

Let me know if it works.

Andrea
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Re: Compilation in Cray system

Postby andrea marini » Fri Nov 12, 2010 2:30 pm

The problem is that the configure cannot find the correct options to pass to the C/Fortran compilers to link a C main with fortran libraries. This has nothing to do with Yambo. We can code in the configure the correct options only once we know them.

So, you should ask to the administrator (or any other expert) of the machine what are the options to be passed to the C compiler and to the Fortran compiler to link a C main against a Fortran library.

The best we can do is to provide you a simple test (1 C+1 Fortran routine) to be compiled in order to find the correct options. We are working on it.

Andrea
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Re: Compilation in Cray system

Postby hplan » Sat Nov 13, 2010 7:20 pm

thank you, Andrea.
I will consult system support for more detail.

Thank you again for help.

Best.

Haiping
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Re: Compilation in Cray system

Postby hplan » Tue Nov 23, 2010 4:12 am

Hi, Andrea,

The technique support suggested me to make symbolic link for 'ftn' by 'mpif90'. After this setting, the configure script can recognize the parallel environment.
The compilation seems fine. I will report whether it works or not.

Thank you.

Best,

Haiping
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Re: Compilation in Cray system

Postby Conor Hogan » Tue Nov 23, 2010 1:08 pm

Great! Let us know if it works out.
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Re: Compilation in Cray system

Postby arlonne » Thu Apr 18, 2013 11:18 pm

hplan wrote:
The technique support suggested me to make symbolic link for 'ftn' by 'mpif90'. After this setting, the configure script can recognize the parallel environment.
The compilation seems fine. I will report whether it works or not.



I have the same problem on cray machines. what's the meaning of replace symbolic link of 'ftn' by 'mpif90'? does it look like LD=mpif90?
can you show me your successful configure command?

Thank you,
longhua
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Re: Compilation in Cray system

Postby myrta gruning » Wed Apr 24, 2013 10:25 am

Hallo

no it means you have to use the
ln -s TARGET LINK_NAME
It is a shell command, TARGET is the existing file, link_name is the 'fake' name you want to give to it just to trick the configure script.

m
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Re: Compilation in Cray system

Postby matdisor » Sat May 18, 2013 6:26 pm

Here is what I did.

1. Cray use wrapper ftn. What you need to do is to modify configure file by adding ftn to the end of lines begining with
Code: Select all
for ac_prog in
For example:
for ac_prog in mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r ftn


2. If you want to use libsci, you should also modify configure file so that it bypass checking lapackm blas, scalapack (enable all, but do not compile lapack blas).
And configure your yambo with the floowing options:
Code: Select all
--with-blas="" --with-lapack="" --with-scalapack=""
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