Abinit 7.4.2 and the newest Intel Compiler
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Abinit 7.4.2 and the newest Intel Compiler
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/
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
Comment the line
call flush() --> ! call flush()
Fixed in 7.4.3
call flush() --> ! call flush()
Fixed in 7.4.3
Re: Abinit 7.4.2 and the newest Intel Compiler
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
You could also solve this problem by commenting the appropriate line in config.h
Re: Abinit 7.4.2 and the newest Intel Compiler
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.
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
By default, Abinit will be installed system-wide in /usr/local. To do this, you have to be root. You can thus either type:
or set the prefix manually (might introduce glitches though):
or - even better - set the install prefix at configure time:
Code: Select all
sudo make install
Code: Select all
make install prefix=/path/to/abinit/installation
Code: Select all
../configure --prefix=/path/to/abinit/installation
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain
- carsten.fortmann
- Posts: 11
- Joined: Tue Nov 20, 2012 2:25 pm
Re: Abinit 7.4.2 and the newest Intel Compiler
gmateo,
I found the same issue. Is 7.4.3. available yet?
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
next week... ( the merge will occur this week-end )
jmb
jmb
------
Jean-Michel Beuken
Computer Scientist
Jean-Michel Beuken
Computer Scientist
Re: Abinit 7.4.2 and the newest Intel Compiler
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
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
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
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
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
Simune Atomistics
Donostia-San Sebastián, Spain