ABINIT Discussion Forums

Posted: **Thu Dec 20, 2012 9:22 am**

summary: different names for the wavefunction *-etsf.nc file on win and on linux from identical input and using same abinit version.

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description:

i'm running this input file (input.in)

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acell 1 1 1 angstrom
    rprim  0.00000000  2.71530000  2.71530000
           2.71530000  0.00000000  2.71530000
           2.71530000  2.71530000  0.00000000
    
# Atomic type information
ntypat 1
typat 1 1
znucl 14

# Atomic positions
natom 2
xred 0.0000 0.0000 0.0000
     0.2500 0.2500 0.2500

ixc -001009
nsppol 1
nspinor 1
nspden 1

# Iteration Control Parameters
iscf 17
nstep 40
npulayit 5
iprcel 0
toldfe 1e-06

# Numerical Accuracy Parameters
tphysel 0
ngkpt 3 3 3

# Basis Set Parameters
nband 16
ecut 20

# Additional Parameters
chksymbreak 0
chkprim 0
accesswff 3
istwfk *1

# Output control
prteig 1
prtpot 1
prtvxc 1

along with this .files file:

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input.in
output.out
input
output
tmp
14.Si.upf

using abinit 6.12.3.
first on linux 64bit, built from sources and
second on win7-64bit, installed binary.
what confuses me is that the wavefunction file is called

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output_WFK-etsf.nc

on linux (as expected) but

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output_WFK_0-etsf.nc

on win. i need the names to be identical for cross-platform specific reasons. since all other files have identical naming schemes on linux and win, I thought this might be a bug in the win binary. if so, can it be fixed? if not, what's going on?

Posted: **Wed May 08, 2013 10:02 am**

solved:
the windows binary is parallel-enabled, hence the suffix _0 (as in process 0) on the wfk files, even when run in serial.

ABINIT Discussion Forums

different naming schemes for WFK files on win vs. linux

different naming schemes for WFK files on win vs. linux

Re: different naming schemes for WFK files on win vs. linux [SOLVED]