forrtl: error (78): process killed (SIGTERM)

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andreichibisov
Posts: 17
Joined: Thu Jan 21, 2010 2:03 am

forrtl: error (78): process killed (SIGTERM)

Post by andreichibisov » Sat Jun 08, 2013 8:05 am

Dear abiniters,
I calculate SiO2(111) surface. My input file is:

#Specific to ground state calculation

# ndtset 11

#Specific to ground state calculation

#ecut1 10
#ecut2 12
#ecut3 14
#ecut4 16
#ecut5 18
#ecut6 20
#ecut7 22
#ecut8 24
#ecut9 26
ecut 28
#ecut11 30

pawecutdg 50
pawmixdg 1

prtpot 0
#prtden 0
prtvhxc 0
prtwf 0
#prteig 0

toldfe 1.0D-6

# dilatmx 1.1 # Maximum scaling allowed for lattice parameters
ionmov 3 # Use BFGS algorithm
ntime 500 # Maximum number of optimization steps
optcell 0 # Fully optimize unit cell geometry, keeping symmetry
tolmxf 1.0e-4 # Convergence limit for forces as above

#######################################################################
#Common input variables

#Definition of the unit cell
acell 10.50730 10.50730 21.79630 angstrom

angdeg 90.00 90.00 120.0000
# spgroup 1
chkprim 0
occopt 1
nsppol 2
# spinat 0.0 0.0 0.0
# 0.0 0.0 0.0
# 0.0 0.0 0.0
# 0.0 0.0 0.0
# 0.0 0.0 0.0
# occopt 3
# tsmear 1.0d-3
enunit 1

# kspace grid
nshiftk 1
shiftk 0.0 0.0 0.0
ngkpt 2 2 1 # Use ngkpt 4 4 6 for converged results

#Definition of the atom types
ntypat 2 # There are two types of atom
znucl 14 8 # The keyword "znucl" refers to the atomic number of the

#Definition of the atoms
natom 52
typat 16*1 36*2

xred
0.38333 0.71667 0.19680
0.05000 0.05000 0.39360
0.38333 0.21667 0.19680
0.05000 0.55000 0.39360
0.88333 0.71667 0.19680
0.55000 0.05000 0.39360
0.88333 0.21667 0.19680
0.55000 0.55000 0.39360
0.21667 0.88333 0.14760
0.88333 0.21667 0.34440
0.71667 0.38333 0.14760
0.38333 0.71667 0.34440
0.71667 0.88333 0.14760
0.38333 0.21667 0.34440
0.21667 0.38333 0.14760
0.88333 0.71667 0.34440
0.71667 0.38333 0.07380
0.38333 0.71667 0.27060
0.05000 0.05000 0.46741
0.30000 0.05000 0.17220
0.96667 0.38333 0.36900
0.80000 0.80000 0.17220
0.46667 0.13333 0.36900
0.05000 0.30000 0.17220
0.71667 0.63333 0.36900
0.80000 0.05000 0.17220
0.46667 0.38333 0.36900
0.30000 0.30000 0.17220
0.96667 0.63333 0.36900
0.05000 0.80000 0.17220
0.71667 0.13333 0.36900
0.71667 0.88333 0.07380
0.38333 0.21667 0.27060
0.05000 0.55000 0.46741
0.30000 0.55000 0.17220
0.96667 0.88333 0.36900
0.80000 0.30000 0.17220
0.46667 0.63333 0.36900
0.80000 0.55000 0.17220
0.46667 0.88333 0.36900
0.30000 0.80000 0.17220
0.96667 0.13333 0.36900
0.21667 0.88333 0.07380
0.88333 0.21667 0.27060
0.55000 0.55000 0.46741
0.55000 0.80000 0.17220
0.21667 0.13333 0.36900
0.55000 0.30000 0.17220
0.21667 0.63333 0.36900
0.21667 0.38333 0.07380
0.88333 0.71667 0.27060
0.55000 0.05000 0.46741

natfix 24
iatfix 7 3 5 1 11 15 13 9 17 50 32 43 37 48 28 24 39 22 46 41 30 26 20 35


nstep 500 # Maximal number of SCF cycles
iscf 17
# diemac 3.0
ecutsm 0.5

But abinit write:
ITER STEP NUMBER 2
vtorho : nnsclo_now= 2, note that nnsclo,dbl_nnsclo,istep= 0 0 2
**** In vtorho for isppol= 1
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
abinit 00000000010C2402 Unknown Unknown Unknown
abinit 00000000010A8486 Unknown Unknown Unknown
abinit 000000000108496C Unknown Unknown Unknown
abinit 0000000000F6BDE6 Unknown Unknown Unknown
abinit 0000000000C0B141 Unknown Unknown Unknown
abinit 00000000005D350D Unknown Unknown Unknown
abinit 00000000005996FF Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libc.so.6 000000396C6BB187 Unknown Unknown Unknown
libmpi.so.4 00002B409C841208 Unknown Unknown Unknown
libmpi.so.4 00002B409C83E628 Unknown Unknown Unknown
libmpi.so.4 00002B409C8EE1A1 Unknown Unknown Unknown
libmpi.so.4 00002B409C8EDF44 Unknown Unknown Unknown
libmpi.so.4 00002B409C821A6D Unknown Unknown Unknown
libmpi.so.4 00002B409C81FE5A Unknown Unknown Unknown
libmpigf.so.4 00002B409CBE07EE Unknown Unknown Unknown
abinit 00000000019FEBF9 Unknown Unknown Unknown
abinit 000000000107F57D Unknown Unknown Unknown
abinit 000000000059565A Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
abinit 00000000010D666F Unknown Unknown Unknown
abinit 00000000010A7CE3 Unknown Unknown Unknown
abinit 000000000108496C Unknown Unknown Unknown
abinit 0000000000F6BDE6 Unknown Unknown Unknown
abinit 0000000000C0B141 Unknown Unknown Unknown
abinit 00000000005D350D Unknown Unknown Unknown
abinit 00000000005996FF Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
abinit 00000000010C27C5 Unknown Unknown Unknown
abinit 00000000010A8486 Unknown Unknown Unknown
abinit 000000000108496C Unknown Unknown Unknown
abinit 0000000000F6BDE6 Unknown Unknown Unknown
abinit 0000000000C0B141 Unknown Unknown Unknown
abinit 00000000005D350D Unknown Unknown Unknown
abinit 00000000005996FF Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libmpi.so.4 00002B5F5FEEF008 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FEEC628 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FF9C1A1 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FF9FA2D Unknown Unknown Unknown
libmpi.so.4 00002B5F5FECF196 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FECDE5A Unknown Unknown Unknown
libmpigf.so.4 00002B5F6028E7EE Unknown Unknown Unknown
abinit 00000000019FEBF9 Unknown Unknown Unknown
abinit 000000000107F57D Unknown Unknown Unknown
abinit 000000000059565A Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libmpi.so.4 00002B9B927B205F Unknown Unknown Unknown
libmpi.so.4 00002B9B927AF628 Unknown Unknown Unknown
libmpi.so.4 00002B9B9285F1A1 Unknown Unknown Unknown
libmpi.so.4 00002B9B9285EF44 Unknown Unknown Unknown
libmpi.so.4 00002B9B92792A6D Unknown Unknown Unknown
libmpi.so.4 00002B9B92790E5A Unknown Unknown Unknown
libmpigf.so.4 00002B9B92B517EE Unknown Unknown Unknown
abinit 00000000019FEBF9 Unknown Unknown Unknown
abinit 000000000107F57D Unknown Unknown Unknown
abinit 000000000059565A Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown

Can you help me, please?
Attachments
SiO2.in
(3.24 KiB) Downloaded 290 times

andreichibisov
Posts: 17
Joined: Thu Jan 21, 2010 2:03 am

Re: forrtl: error (78): process killed (SIGTERM)

Post by andreichibisov » Sun Jun 09, 2013 5:43 am

Dear colleagues,
For bulk SiO2 (in phase Fd3m) the results are very good.
However, when I build the SiO2(111) surface the abinit writes:

forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
abinit 00000000010C2402 Unknown Unknown Unknown
abinit 00000000010A8486 Unknown Unknown Unknown
abinit 000000000108496C Unknown Unknown Unknown
abinit 0000000000F6BDE6 Unknown Unknown Unknown
abinit 0000000000C0B141 Unknown Unknown Unknown
abinit 00000000005D350D Unknown Unknown Unknown
abinit 00000000005996FF Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libc.so.6 000000396C6BB187 Unknown Unknown Unknown
libmpi.so.4 00002B409C841208 Unknown Unknown Unknown
libmpi.so.4 00002B409C83E628 Unknown Unknown Unknown
libmpi.so.4 00002B409C8EE1A1 Unknown Unknown Unknown
libmpi.so.4 00002B409C8EDF44 Unknown Unknown Unknown
libmpi.so.4 00002B409C821A6D Unknown Unknown Unknown
libmpi.so.4 00002B409C81FE5A Unknown Unknown Unknown
libmpigf.so.4 00002B409CBE07EE Unknown Unknown Unknown
abinit 00000000019FEBF9 Unknown Unknown Unknown
abinit 000000000107F57D Unknown Unknown Unknown
abinit 000000000059565A Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
abinit 00000000010D666F Unknown Unknown Unknown
abinit 00000000010A7CE3 Unknown Unknown Unknown
abinit 000000000108496C Unknown Unknown Unknown
abinit 0000000000F6BDE6 Unknown Unknown Unknown
abinit 0000000000C0B141 Unknown Unknown Unknown
abinit 00000000005D350D Unknown Unknown Unknown
abinit 00000000005996FF Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
abinit 00000000010C27C5 Unknown Unknown Unknown
abinit 00000000010A8486 Unknown Unknown Unknown
abinit 000000000108496C Unknown Unknown Unknown
abinit 0000000000F6BDE6 Unknown Unknown Unknown
abinit 0000000000C0B141 Unknown Unknown Unknown
abinit 00000000005D350D Unknown Unknown Unknown
abinit 00000000005996FF Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libmpi.so.4 00002B5F5FEEF008 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FEEC628 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FF9C1A1 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FF9FA2D Unknown Unknown Unknown
libmpi.so.4 00002B5F5FECF196 Unknown Unknown Unknown
libmpi.so.4 00002B5F5FECDE5A Unknown Unknown Unknown
libmpigf.so.4 00002B5F6028E7EE Unknown Unknown Unknown
abinit 00000000019FEBF9 Unknown Unknown Unknown
abinit 000000000107F57D Unknown Unknown Unknown
abinit 000000000059565A Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libmpi.so.4 00002B9B927B205F Unknown Unknown Unknown
libmpi.so.4 00002B9B927AF628 Unknown Unknown Unknown
libmpi.so.4 00002B9B9285F1A1 Unknown Unknown Unknown
libmpi.so.4 00002B9B9285EF44 Unknown Unknown Unknown
libmpi.so.4 00002B9B92792A6D Unknown Unknown Unknown
libmpi.so.4 00002B9B92790E5A Unknown Unknown Unknown
libmpigf.so.4 00002B9B92B517EE Unknown Unknown Unknown
abinit 00000000019FEBF9 Unknown Unknown Unknown
abinit 000000000107F57D Unknown Unknown Unknown
abinit 000000000059565A Unknown Unknown Unknown
abinit 00000000005377F8 Unknown Unknown Unknown
abinit 000000000051F5E4 Unknown Unknown Unknown
abinit 000000000052023E Unknown Unknown Unknown
abinit 0000000000519C17 Unknown Unknown Unknown
abinit 00000000004DBD67 Unknown Unknown Unknown
abinit 0000000000422E1F Unknown Unknown Unknown
abinit 00000000004138A9 Unknown Unknown Unknown
abinit 000000000040A844 Unknown Unknown Unknown
abinit 000000000040871C Unknown Unknown Unknown
libc.so.6 000000396C61D994 Unknown Unknown Unknown
abinit 0000000000408629 Unknown Unknown Unknown

Can anybody help me, please!

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