ABINIT Discussion Forums

Hi, all

I am a newbie in using Abinit, and I have compiled successfully the Abinit codes (version 6.12.3) with Fallbacks (AtomPAW, BigDFT, Etsf……). Before I compile the codes, I have downloaded AtomPAW (also BigDFT, Etsf) and kept them together in a directory (/share/home/fszhang/maofei/mnt/ab/plugins) on my computer for further use. My configure commands is followed，

./configure --prefix=/share/home/fszhang/maofei/opt/abinit.sopt FC=ifort --with-tardir=/share/home/fszhang/maofei/mnt/ab/plugins

How can I find ATOMPAW executable？
Thank you advance.

evan
Beijing Normal University

Hi Evan,

From the place you BUILT abinit, the executable can be found in fallbacks/sources/atompaw-3.0.1.3/src/atompaw
It doesn't get installed during the "make install" step.

Kind regards,

Alain

Hi Alain,

Thank you for your kind reply, From the place you have mentioned I do not find any executable. I an wondering, is there any wrong when I configure the codes?

I did “make and make install” after the “./configure” when I compiled the Abinit codes.

Best
Evan

Hi Evan,

By default, atompaw compilation should be enabled. Would you be so kind to attach your config.log file - it should give me some clues about what happened.
If I understand correctly, you found the fallbacks/sources/atompaw-3.0.1.3/src/ directory structure, some .f90 flies in it but no .o objects no atompaw no graphatom executables ... or nothing at all? Look for other versions number than 3.0.1.3 ... my memory may be betrays me.

Alain

Evan,

and in fallbacks/exports/bin/, is there a "atompaw-abinit" binary ?

jmb

Hi Alain,

Thank you for your kind reply. I have compiled the Abinit codes once again, and it seems to be successful. I find executables like atompaw and graphatom in the directory (abinit-6.12.3/fallbacks/sources/atompaw-3.0.1.3/src, and if I have make clean executed in this directory, the object files .o and executable files will be all deleted?), and I have tested the executable atompaw according to the tutorial, the results are correct.

And, I also attach the config.log file (in the compilation directory ../abinit-6.12.3/).

Best
Evan

Hi Jmb,

Thank you for your kind reply. I have recompiled the Abinit codes successfully, I have found the executables atompaw (~/abinit-6.12.3/fallbacks/sources/atompaw-3.0.1.3/src) and atompaw-abinit (~/abinit-6.12.3/fallbacks/exports/bin). Are there any differences between these two executables? Whether the atompaw-abinit is just a copy of the executable atompaw or not? (because I have found the same case for wannier90.x-abinit in the bin/, and the wannier90.x in the directory /fallbacks/sources/wannier90-1.2.0.1/src ).

Thank you again.

Best
Evan

Yes, the atompaw-abinit executable is a copy of the binary that you can find within AtomPAW's source tree. It's just at a more convenience place to run the test suite of Abinit.