Abinit 7.4.2 and the newest Intel Compiler

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yarboy
Posts: 1
Joined: Fri Apr 16, 2010 12:28 pm

Abinit 7.4.2 and the newest Intel Compiler

Post by yarboy » Tue Sep 17, 2013 1:41 pm

Dear All,
I got the following error:

m_io_tools.F90(913): error #6505: This intrinsic procedure reference contains too few arguments. [FLUSH]
call flush()
-------^

mpif90 -V
Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on Intel(R) 64, Version 14.0.0.080 Build 20130728

How to correct it?
Thank you/

User avatar
gmatteo
Posts: 291
Joined: Sun Aug 16, 2009 5:40 pm

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by gmatteo » Tue Sep 17, 2013 10:39 pm

Comment the line

call flush() --> ! call flush()

Fixed in 7.4.3

Sunny
Posts: 10
Joined: Thu Jan 31, 2013 4:25 pm

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by Sunny » Thu Sep 26, 2013 10:03 am

The problem is the handling of so called DSOs. The problem doesn't appear with newer versions of ld.

You could also solve this problem by commenting the appropriate line in config.h

palvi
Posts: 4
Joined: Fri Sep 27, 2013 3:10 pm

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by palvi » Fri Sep 27, 2013 3:15 pm

Hi everyone,
today i download the Abinit 7.4.2. when i use the make install command i had following error.
/usr/bin/install -c abinit aim anaddb band2eps bsepostproc conducti cut3d fftprof ioprof kss2wfk lapackprof lwf mrgddb mrggkk mrgscr optic ujdet vdw_kernelgen macroave '/usr/local/bin'
/usr/bin/install: cannot create regular file ‘/usr/local/bin/abinit’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/aim’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/anaddb’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/band2eps’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/bsepostproc’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/conducti’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/cut3d’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/fftprof’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/ioprof’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/kss2wfk’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/lapackprof’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/lwf’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/mrgddb’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/mrggkk’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/mrgscr’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/optic’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/ujdet’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/vdw_kernelgen’: Permission denied
/usr/bin/install: cannot create regular file ‘/usr/local/bin/macroave’: Permission denied
make[3]: *** [install-binPROGRAMS] Error 1
make[3]: Leaving directory `/people/mpip/sharmap/palvi/abinit-7.4.2/src/98_main'
make[2]: *** [install-am] Error 2
make[2]: Leaving directory `/people/mpip/sharmap/palvi/abinit-7.4.2/src/98_main'
make[1]: *** [install-recursive] Error 1
make[1]: Leaving directory `/people/mpip/sharmap/palvi/abinit-7.4.2/src'
make: *** [install-recursive] Error 1
Please tell me what can i do to remove this and install abinit.

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

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by pouillon » Wed Oct 02, 2013 12:06 pm

By default, Abinit will be installed system-wide in /usr/local. To do this, you have to be root. You can thus either type:

Code: Select all

sudo make install
or set the prefix manually (might introduce glitches though):

Code: Select all

make install prefix=/path/to/abinit/installation
or - even better - set the install prefix at configure time:

Code: Select all

../configure --prefix=/path/to/abinit/installation
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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carsten.fortmann
Posts: 11
Joined: Tue Nov 20, 2012 2:25 pm

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by carsten.fortmann » Mon Oct 14, 2013 10:46 am

gmateo,

Comment the line

call flush() --> ! call flush()

Fixed in 7.4.3


I found the same issue. Is 7.4.3. available yet?

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

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by jbeuken » Tue Oct 15, 2013 7:50 pm

next week... ( the merge will occur this week-end )

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

palvi
Posts: 4
Joined: Fri Sep 27, 2013 3:10 pm

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by palvi » Wed Oct 16, 2013 2:36 pm

Hi,
thanks for your reply.
I run Abinit. I want to calculate dipole moment of my structure.how can I calculate.
Please reply Fast.
thanks in advance
Regards,
palvi

palvi
Posts: 4
Joined: Fri Sep 27, 2013 3:10 pm

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by palvi » Thu Oct 17, 2013 12:00 pm

Hello everyone,
I am new user of Abinit.I want to do some simulation study of graphene with Abinit.
I calculated the Band Structure of graphene. its come out zero at k point.I want to calculate dipole moment.
Its possible to calculate with Abinit.I also want to do it for 100 atom but
when i run the program it give the error The eigenvector number147 has zero norm.can you suggest me?
Thanks in advance.
Regards,
Palvi

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

Re: Abinit 7.4.2 and the newest Intel Compiler

Post by pouillon » Tue Oct 22, 2013 12:15 pm

If you want a fast answer, please post your question to the right forum. This one is dedicated to the build of Abinit, not to running it.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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