Dear espresso users:<br>
I compiled espresso v2.1.4 with ifc 8.0 and mkl721 and all examples is
"done", During my phonons calculations for tungsten bcc crash
with message:<br>
en bash <br>
q=0.00,1.00,0.00...forrtl: severe (24): end-of-file during read, unit -5, file Internal List-Directed Read<br>
Image
PC
Routine
Line Source<br>
pw.x
08572B88
Unknown
Unknown Unknown<br>
pw.x
085723EC
Unknown
Unknown Unknown<br>
pw.x
0853BE4D
Unknown
Unknown Unknown<br>
pw.x
08500388
Unknown
Unknown Unknown<br>
pw.x
0850082B
Unknown
Unknown Unknown<br>
pw.x
08513F68
Unknown
Unknown Unknown<br>
pw.x
0818AFA3
Unknown
Unknown Unknown<br>
pw.x
0818AE94
Unknown
Unknown Unknown<br>
pw.x
080C7AF2
Unknown
Unknown Unknown<br>
pw.x
080C4CF0
Unknown
Unknown Unknown<br>
pw.x
0804EE46
Unknown
Unknown Unknown<br>
pw.x
0804ECB8
Unknown
Unknown Unknown<br>
libc.so.6
40495974
Unknown
Unknown Unknown<br>
pw.x
0804EB71
Unknown
Unknown Unknown<br>
<br>
and my input is :<br>
<br>
&control<br>
calculation='phonon'<br>
restart_mode='from_scratch',<br>
prefix='W',<br>
pseudo_dir = '/home/diego/ESPRESSO/Software/Pseudopotenciales/',<br>
outdir='/scratch/'<br>
/<br>
&system <br>
ibrav= 0, celldm(1) =5.4691, nat= 2, ntyp= 2,<br>
ecutwfc =18.0, occupations='smearing', smearing='methfessel-paxton',<br>
degauss=0.05<br>
/<br>
&electrons<br>
mixing_beta = 0.7,<br>
conv_thr = 1.0d-8<br>
/<br>
&phonon<br>
xqq(1) = 0.00, xqq(2) = 1.00, xqq(3) = 0.00<br>
/<br>
ATOMIC_SPECIES<br>
W 183.84 W.pz-bhs.UPF<br>
CELL_PARAMETERS <br>
1.0 0.0 0.0<br>
0.0 1.0 0.0<br>
0.0 0.0 1.0<br>
ATOMIC_POSITIONS <br>
W 0.0 0.0 0.0<br>
W 0.5 0.5 0.5<br>
K_POINTS <br>
28<br>
0.0 0.0 0.0 1.0<br>
0.0 0.0 0.1 1.0<br>
0.0 0.0 0.2 1.0<br>
0.0 0.0 0.3 1.0<br>
0.0 0.0 0.4 1.0<br>
0.0 0.0 0.5 1.0<br>
0.0 0.0 0.6 1.0<br>
0.0 0.0 0.7 1.0<br>
0.0 0.0 0.8 1.0<br>
0.0 0.0 0.9 1.0<br>
0.0 0.0 1.0 1.0<br>
0.0 0.0 0.0 1.0<br>
0.0 0.1 0.1 1.0<br>
0.0 0.2 0.2 1.0<br>
0.0 0.3 0.3 1.0<br>
0.0 0.4 0.4 1.0<br>
0.0 0.5 0.5 1.0<br>
0.0 0.6 0.6 1.0<br>
0.0 0.7 0.7 1.0<br>
0.0 0.8 0.8 1.0<br>
0.0 0.9 0.9 1.0<br>
0.0 1.0 1.0 1.0<br>
0.0 0.0 0.0 1.0<br>
0.1 0.1 0.1 1.0<br>
0.2 0.2 0.2 1.0<br>
0.3 0.3 0.3 1.0<br>
0.4 0.4 0.4 1.0<br>
0.5 0.5 0.5 1.0<br>
<br>
and for ph.x is <br>
fonones para W<br>
&inputph<br>
tr2_ph=1.0d-12,<br>
prefix='W',<br>
amass(1)=183.84,<br>
outdir='/scratch',<br>
fildyn='dyn.0.00,1.00,0.00'<br>
/<br>
<br>
thanks for help me <br>
<br>
Diego Moreno<br>