error while running "abinit < t1x.files >& log"

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
Mukul.pu02
Posts: 17
Joined: Sat Apr 23, 2011 9:34 am

error while running "abinit < t1x.files >& log"

Post by Mukul.pu02 » Fri Apr 29, 2011 12:06 pm

hello everyone,
I will be really grateful if anyone help me regarding this error.i am new to the abinit software.I have installed abinit-6.6.2.I am doing lesson 1 as available on the abinit website"The H2 molecule, without convergence studies".
When i type "abinit < t1x.files >& log " in the working directory,then i get abinit log t11.in t1x.files but the expected result must be
abinit log t11.in t11.out t1x.files t1xo_DDB t1xo_DEN t1xo_EIG t1xo_WFK
apart from this i am getting the following error also after checking log file:-
t11.in
Give name for formatted output file:
../Refs/t11.out
Give root name for generic input files:
t11i
Give root name for generic output files:
t11o
Give root name for generic temporary files:
t11
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 7, file /home/DrGurinderSingh/Desktop/abinit-6.6.2/tests/tutorial/Input/Work/../Refs/t11.out
Image PC Routine Line Source
libirc.so 00145CB1 Unknown Unknown Unknown
libirc.so 00144884 Unknown Unknown Unknown
libifcore.so.5 00E16A6D Unknown Unknown Unknown
libifcore.so.5 00DA3271 Unknown Unknown Unknown
libifcore.so.5 00DA2A81 Unknown Unknown Unknown
libifcore.so.5 00DB9C5E Unknown Unknown Unknown
abinit 0804ADE5 Unknown Unknown Unknown
abinit 0804ABD4 Unknown Unknown Unknown
libc.so.6 0091FCC6 Unknown Unknown Unknown
abinit 0804AAE1 Unknown Unknown Unknown

Please kindly reply if anyone know about this error.how i can remove this error?

with Best Regards
M.Mukul

User avatar
jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: error while running "abinit < t1x.files >& log"

Post by jzwanzig » Sat Apr 30, 2011 6:47 pm

Kind of looks like it can't find your pseudopotential files. The file names for the pseuodopotentials in your t11.files file must point correctly to the pseudo files. Check this carefully--
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

Locked