[Pw_forum] FLUSH--FAILED:: Bad address

[Cyrille Barreteau]

Dear pwscf users,


I wanted to report a strange behaviour observed on the cvs version
of pwscf. When using a script to perform a series of calculation (for
example doing a calculation at various lattice parameters..)
like the following:

==================================================
#!/bin/sh
####################################################################
# include the needed environment variables
#.. ./environment_variables
PW_ROOT=$HOME/SOFTWARE/espresso.cvs
PSEUDO_DIR=$HOME/SOFTWARE/espresso.cvs/pseudo
TMP_DIR=/tmp/orbit-barreto/espresso

#rm -fr $TMP_DIR/*
#mkdir results
cd results
rm -f fefcc.scf.out

for lattice_const in 6.6 6.7 6.8 6.9 7.0 7.1 7.2 7.3 7.4 7.5 7.6 7.7 7.7
; do
# self-consistent calculation
cat > fefcc.scf.in << EOF
 &control
    pseudo_dir = '$PSEUDO_DIR/',
    outdir='$TMP_DIR/'
    prefix='fe'
 /
 &system
    ibrav = 2, celldm(1) =$lattice_const, nat= 1, ntyp= 1, nbnd=10,
    nspin = 2,  starting_magnetization(1)=0.30,
    ecutwfc = 35, ecutrho = 250.0,
    occupations='smearing', smearing='methfessel-paxton', degauss=0.005
 /
 &electrons
    conv_thr = 1.0e-8
    mixing_beta = 0.3
 /
ATOMIC_SPECIES
 Fe 55.847 Fe_us_gga_d2.1.8.pseudo.UPF
ATOMIC_POSITIONS
 Fe 0.0 0.0 0.0
K_POINTS automatic
 20 20 20 0 0 0
EOF
$PW_ROOT/bin/pw.x < fefcc.scf.in >> fefcc.scf.out

done
===================================================

A strange warning appears at the second call of pw.x saying:
"FLUSH--FAILED:: Bad address" (three times per itetation) .
Moreover in the output file many exotic characters appear depending
on the editor used (^@ with xemacs, <nul> or <soc> with nedit etc..)

By looking on the web I discovered that this "bug" is a combination
of several factors:
the use of FLUSH routine (machine dependant)
the compilation with ifc7
the double redirection >>

as described on the following web site:

http://softwareforums.intel.com/ids/board/message?board.id=11&message.id=762

Any comment is very welcome.

   cyrille


-- 
================================================
Cyrille Barreteau  | phone:+33 (0)1 69 08 29 51
CEA Saclay         | fax : +33 (0)1 69 08 84 46
DSM/DRECAM/SPCSI   | email: cbarreteau at cea.fr
Batiment 462       |
91191 Gif sur Yvette Cedex  FRANCE
           ~~~~~~~~~~~~~~~~~~~~~~~~
http://www-drecam.cea.fr/spcsi/index.php
http://www-drecam.cea.fr/Images/Pisp/cbarreteau/cbarreteau_fr.html
================================================