ABINIT Discussion Forums

hello everybody,
I will be grateful if you please kindly tell me how can i modify the first and second lines of t1x.files file, so that they read:
t11.in
t11.out
i am not understanding the meaning of the above lines.
Please help!!

Use an editor and change these lines so they list the actual input and output file names you wish to use.

For the meaning of these lines, just run Abinit without any argument. It will ask you some questions. The lines in the t1x.files are the answers to these questions, in the same order. They are stored in the t1x.files file, so that you don't have to type them each time you run Abinit.

jzwanzig wrote:Use an editor and change these lines so they list the actual input and output file names you wish to use.

Thanks a lot Sir for replying.
i have taken your suggestion into consideration.

With Best Regards,
M.Mukul

pouillon wrote:For the meaning of these lines, just run Abinit without any argument. It will ask you some questions. The lines in the t1x.files are the answers to these questions, in the same order. They are stored in the t1x.files file, so that you don't have to type them each time you run Abinit.

Respected Sir,
would you please kindly elaborate how to run abinit without any argument?

Thanks and Regards

To run Abinit without arguments, you just need to type:

where "/path/to" should be replaced by the actual directory the "abinit" executable resides in.

I highly recommend you to read the following pages and try the examples therein as well:

• http://www.abinit.org/documentation/helpfiles/for-v6.6/users/new_user_guide.html
• http://www.ee.surrey.ac.uk/Teaching/Unix/
• http://gd.tuwien.ac.at/linuxcommand.org/index.php

This should help you getting a clearer idea about how the whole thing works.

[quote="pouillon"]To run Abinit without arguments, you just need to type:

where "/path/to" should be replaced by the actual directory the "abinit" executable resides in.

Respected Sir,
First of all thank you very much for your kind consideration and constant guidance.
i will surely go through the links mentioned by you.
sir,I have tried to run the abinit without argument as guided by you.The following is the output i got:

$ /home/DGS/Desktop/abinit-6.6.2/src/98_main/abinit
ABINIT

Give name for formatted input file:
t11.in
t11.in
Give name for formatted output file:
t11.out
t11.out
Give root name for generic input files:
t11i
t11i
Give root name for generic output files:
t11o
t11o
Give root name for generic temporary files:
t11
t11

isfile : WARNING -
Finds that output file t11.out
already exists.
new name assigned:t11.outA


.Version 6.6.2 of ABINIT
.(sequential version, prepared for a i686_linux_intel12.0 computer)

.Copyright (C) 1998-2011 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read ~abinit/doc/users/acknowledgments.html for suggested
acknowledgments of the ABINIT effort.
For more information, see http://www.abinit.org .

.Starting date : Thu 5 May 2011.
- ( at 17h42 )


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

=== Build Information ===
Version : 6.6.2
Build target : i686_linux_intel12.0
Build date : 20110425

=== Compiler Suite ===
C compiler : gnu4.4
CFLAGS : -g -O2 -mtune=native -march=native -mfpmath=sse
C++ compiler : gnu4.4
CXXFLAGS : -g -O2 -mtune=native -march=native -mfpmath=sse
Fortran compiler : intel12.0
FCFLAGS : -g -extend-source -vec-report0 -noaltparam -nofpscomp
FC_LDFLAGS : -static-intel -static-libgcc

=== Optimizations ===
Debug level : basic
Optimization level : standard
Architecture : unknown_unknown

=== MPI ===
Parallel build : no
Parallel I/O : no
Time tracing : no
GPU support : no

=== Connectors / Fallbacks ===
Connectors on : yes
Fallbacks on : yes
DFT flavor : libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback
FFT flavor : none
LINALG flavor : netlib-fallback
MATH flavor : none
TIMER flavor : abinit
TRIO flavor : netcdf-fallback+etsf_io-fallback

=== Experimental features ===
Bindings : no
Exports : no
GW double-precision : no

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Default optimizations:
-O3 -xHost


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
CPP options activated during the build:

CC_GNU CXX_GNU FC_INTEL

HAVE_DFT_ATOMPAW HAVE_DFT_BIGDFT HAVE_DFT_LIBXC

HAVE_DFT_WANNIER90 HAVE_FC_ALLOCATABLE_DT... HAVE_FC_EXIT

HAVE_FC_GAMMA HAVE_FC_ISO_C_BINDING HAVE_FC_NULL

HAVE_OS_LINUX HAVE_STDIO_H HAVE_TIMER

HAVE_TIMER_ABINIT HAVE_TIMER_SERIAL HAVE_TRIO_ETSF_IO

HAVE_TRIO_NETCDF USE_MACROAVE
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

- input file -> t11.in
- output file -> t11.outA
- root for input files -> t11i
- root for output files -> t11o

instrng : 50 lines of input have been read

iofn2 : Please give name of formatted atomic psp file

Please guide me what is happening above and what i am supposed to do now.

Thanks
WITH BEST REGARDS
M.Mukul

Hello,

You should read the basic help file of abinit :

http://www.abinit.org/documentation/helpfiles/for-v6.6/users/abinit_help.html

Also, I recommend you to do the tutorials basic lessons from 1 to 4 (at least) :

http://www.abinit.org/documentation/helpfiles/for-v6.6/tutorial/welcome.html

Most of your questions if not all of them (in fact all of them, for sure) are covered by these help files and tutorials.

Good luck

David