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Abinit 7.4.2 and the newest Intel Compiler

Posted: Tue Sep 17, 2013 1:41 pm
by yarboy
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/

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Tue Sep 17, 2013 10:39 pm
by gmatteo
Comment the line

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

Fixed in 7.4.3

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Thu Sep 26, 2013 10:03 am
by Sunny
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

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Fri Sep 27, 2013 3:15 pm
by palvi
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.

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Wed Oct 02, 2013 12:06 pm
by pouillon
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):

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

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../configure --prefix=/path/to/abinit/installation

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Mon Oct 14, 2013 10:46 am
by carsten.fortmann
gmateo,

Comment the line

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

Fixed in 7.4.3


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

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Tue Oct 15, 2013 7:50 pm
by jbeuken
next week... ( the merge will occur this week-end )

jmb

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Wed Oct 16, 2013 2:36 pm
by palvi
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

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Thu Oct 17, 2013 12:00 pm
by palvi
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

Re: Abinit 7.4.2 and the newest Intel Compiler

Posted: Tue Oct 22, 2013 12:15 pm
by pouillon
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.