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<P><FONT SIZE=2>Hi there,<BR>
<BR>
I have tried to perform scf alculation in my system, however the result is not converged,It stopped after first few iterations. Instead the output shows following error<BR>
<BR>
<BR>
<BR>
p4_16508: p4_error: interrupt SIGx: 13<BR>
rm_l_23_24807: (392.835938) net_send: could not write to fd=5, errno = 32<BR>
rm_l_5_16527: (398.265625) net_send: could not write to fd=5, errno = 32<BR>
mpirun: got sig, my pid is 17869<BR>
childs pid is 18462 mpirun<BR>
<BR>
My input file is as follows<BR>
&CONTROL<BR>
calculation ='scf'<BR>
restart_mode ='from_scratch'<BR>
outdir = '/sfiwork/dsharma/test/<BR>
pseudo_dir = '/sfiwork/dsharma/QE_Pseudos/'<BR>
prefix = 'dsh'<BR>
tstress = .true.<BR>
tprnfor = .true.<BR>
etot_conv_thr = 1.D-4<BR>
forc_conv_thr = 1.D-3<BR>
nstep = 600<BR>
/<BR>
&SYSTEM<BR>
ibrav = 0<BR>
celldm(1) =14.895468<BR>
nat = 780<BR>
ntyp = 2<BR>
ecutwfc = 35<BR>
ecutrho = 120<BR>
nbnd =1700 <BR>
/<BR>
&ELECTRONS<BR>
diagonalization ='cg'<BR>
mixing_mode = 'plain'<BR>
conv_thr = 1.0d-6<BR>
mixing_beta = 0.7<BR>
/<BR>
CELL_PARAMETERS cubic<BR>
1.000000000 0.000000000 0.000000000<BR>
0.000000000 1.000000000 0.000000000<BR>
0.000000000 0.000000000 6.000000000<BR>
ATOMIC_SPECIES<BR>
Si 28.08600 Si.pz-vbc.UPF<BR>
H 1.00800 H.pz-vbc.UPF<BR>
ATOMIC_POSITIONS angstroms<BR>
Si 4.428658922 8.103176805 29.794371687<BR>
Si 4.336832871 18.551141820 20.425720839<BR>
Si 3.983248480 19.970914222 26.328297321<BR>
......<BR>
<BR>
Kindly advice me!<BR>
<BR>
Dimpy</FONT>
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