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- From: "Davide Sangalli" <davide.sangalli@gmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Which is the error?
- Date: Thu, 24 May 2007 09:31:53 +0200
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Well thanks,
this sounds a little bit strange, but indeed the path
was the problem. I tried to run the code of a different
input file, that I knew to be ok, from the same path and
I get the same error.
The strange thing is that the problem seems to appear
only for that special path!
i.e.:
My abinit path is:
/home/sangalli/abinit/abinit/abinit-5.3.4/tmp/src/main/abinis
I usually run the code from
/home/sangalli/abinit/calcoli/CN/excitations/
and everything works. If I run the code from
/home/sangalli/abinit/calcoli/O2/excitations/
it does not work!
...sometimes the pc are "not-understandable" to me.
On 5/24/07, Larry E. Johnson <gridphysics@hotmail.com> wrote:
Hi Davide,
On my pc (with windows Vista), trying to use paths with .../.../.../ to get back to previous directories doesn't work, so I had to bring a copy of everything needed for the runs forward to the C:\abinit\tutorial\work directory, and that includes abinis.exe
Larry E. Johnson
From: "Davide Sangalli" < davide.sangalli@gmail.com>
Reply-To: forum@abinit.org
To: forum@abinit.org
Subject: [abinit-forum] Which is the error?
Date: Thu, 24 May 2007 00:54:46 +0200
Dear all,
I'm trying to study the 02 molecule
and when I run the code it stops almost immediately
and the first line of my log file is:
__________________________________________________
----------------------------------------------------------------------
At line 267 of file ../../../src/11util/status.F90
Fortran runtime error: No such file or directory
__________________________________________________
----------------------------------------------------------------------
where "../../../" is actually the path for abinit on my pc
Studying other systems everything seems to be ok.
Thanks,
Davide
Here below there is my input file.
__________________________________________________
----------------------------------------------------------------------
# O2 TDDFT calculation
# Ground state working within DFT
#ndtset 2
#mkmem 1
# Type of molecules to be studied
natom 2
ntypat 1
typat 1 1
znucl 8 8
nsppol 2
occopt 2
occ 1 1 1 1 1 1 1 0 0 0
1 1 1 1 1 0 0 0 0 0
# Primitive cell choosed and position of atoms inside it
acell 3*10 Angstrom
xangst 5.60375 5 5 # d=1.2075 Angstrom
4.39625 5 5
# Parameters for the SCF calculation
ecut 10
nstep 25
# It's an isolated system so nkpt=1, other thinghs I took from
# the tutorial
nkpt 1
diemac 1.5
diemix 0.5
# First step.
# Calculation of ground state.
ixc 1
iscf 5
tolwfr 1.0d-11
nband 10 10
prtden 1
getwfk 0
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- Which is the error?, Davide Sangalli, 05/24/2007
- RE: [abinit-forum] Which is the error?, Larry E. Johnson, 05/24/2007
- Re: [abinit-forum] Which is the error?, Davide Sangalli, 05/24/2007
- Re: [abinit-forum] Which is the error?, Matthieu Verstraete, 05/24/2007
- Re: [abinit-forum] Which is the error?, Davide Sangalli, 05/24/2007
- Re: [abinit-forum] Which is the error?, Matthieu Verstraete, 05/24/2007
- Re: [abinit-forum] Which is the error?, Davide Sangalli, 05/24/2007
- Re: [abinit-forum] Which is the error?, Matthieu Verstraete, 05/24/2007
- Re: [abinit-forum] Which is the error?, Davide Sangalli, 05/24/2007
- Re: [abinit-forum] Which is the error?, Matthieu Verstraete, 05/24/2007
- RE: [abinit-forum] Which is the error?, Gerardo Gonzalez, 05/24/2007
- Re: [abinit-forum] Which is the error?, Davide Sangalli, 05/24/2007
- RE: [abinit-forum] Which is the error?, Larry E. Johnson, 05/24/2007
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