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

option, parallelism,...

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carsten.fortmann
Posts: 11
Joined: Tue Nov 20, 2012 2:25 pm

different naming schemes for WFK files on win vs. linux

Post by carsten.fortmann » 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.

-----------------------------------------------

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?

User avatar
carsten.fortmann
Posts: 11
Joined: Tue Nov 20, 2012 2:25 pm

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

Post by carsten.fortmann » 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.

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