[QE-users] qe-6.5 can not run
王少锋（Shaofeng）
wangshaofeng at iae.ac.cn
Tue Jan 14 10:51:20 CET 2020
Dear expert,
I compiled qe-6.5 using intel compiler 2013 and openmpi 1.65 on the supercomputing center. However, the program can not run correctly. The input and error information is listed as follow. Please give me some suggestion.
&CONTROL
calculation = 'scf' ,
outdir = './tmp' ,
pseudo_dir = '../pseudo/ncpp' ,
prefix = 'goethite' ,
etot_conv_thr = 1.0d-5 ,
forc_conv_thr = 1.0d-4 ,
nstep = 200 ,
tstress = .true. ,
tprnfor = .true. ,
/
&SYSTEM
a = 4.59790e+00
b = 9.95100e+00
c = 3.01780e+00
ibrav = 8
nat = 16
ntyp = 4,
ecutwfc = 60 ,
! ecutrho = 500 ,
! input_dft = pbe ,
nspin = 2 ,
starting_magnetization(1) = 0.2 ,
starting_magnetization(2) = -0.2 ,
tot_magnetization = 0 ,
! lda_plus_u=.true. Hubbard_U(1)=3.4, Hubbard_U(2)=3.4,
/
&ELECTRONS
electron_maxstep = 100,
conv_thr = 1.0d-8 ,
mixing_beta = 0.3 ,
/
&IONS
ion_dynamics = 'bfgs' ,
/
&CELL
cell_dynamics = 'bfgs' ,
cell_dofree = xyz ,
/
ATOMIC_SPECIES
Fe 55.84500 Fe_00LDA_OP.ncpp ! Fe.pbe-sp-van_mit.UPF
Fe1 55.84500 Fe_00LDA_OP.ncpp ! Fe.pbe-sp-van_mit.UPF
O 15.99940 O_00LDA_OP.ncpp ! O_OTF.usp.UPF
H 1.00794 H_00LDA_OP.ncpp ! H_OTF.usp.UPF
ATOMIC_POSITIONS (crystal)
H 0.396606322 0.093776283 0.250000000
H 0.896587170 0.406219365 -0.250000000
H -0.396606322 -0.093776283 0.750000000
H 0.103412830 0.593780635 0.250000000
O 0.691367914 0.197477963 0.250000000
O 0.190309711 0.058273396 0.250000000
O 1.191364901 0.302522128 -0.250000000
O 0.690294966 0.441724433 -0.250000000
O -0.691367914 -0.197477963 0.750000000
O -0.190309711 -0.058273396 0.750000000
O -0.191364901 0.697477872 0.250000000
O 0.309705034 0.558275567 0.250000000
Fe 0.054497400 0.854170205 0.250000000
Fe1 0.554520379 -0.354169083 -0.250000000
Fe -0.054497400 -0.854170205 0.750000000
Fe1 0.445479621 1.354169083 0.250000000
K_POINTS automatic
3 2 4 0 0 0
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002AAC6C001710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002AAC6C22DD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B0D833C7710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B0D835F3D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002AD22815E710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002AD22838AD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B9BE9D00710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B9BE9F2CD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B8E6BFA3710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B8E6C1CFD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B745478D710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B74549B9D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B34A7CEB710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B34A7F17D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B7354693710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B73548BFD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002AB20EE34710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002AB20F060D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B46502FC710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B4650528D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002AD5142D3710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002AD5144FFD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002BA6AEAA8710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002BA6AECD4D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B6901A90710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B6901CBCD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B614E779710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B614E9A5D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002ADA6ACC6710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002ADA6AEF2D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B3F6563E710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B3F6586AD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B7BB9FA2710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B7BBA1CED5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002ABEDD357710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002ABEDD583D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002B67F3F11710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002B67F413DD5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
pw.x 0000000000F8C839 Unknown Unknown Unknown
pw.x 0000000000F8B1B0 Unknown Unknown Unknown
pw.x 0000000000F39152 Unknown Unknown Unknown
pw.x 0000000000EC8303 Unknown Unknown Unknown
pw.x 0000000000ECF37B Unknown Unknown Unknown
libpthread.so.0 00002ADDE41D4710 Unknown Unknown Unknown
pw.x 0000000000B642CA qes_init_module_m 1591 qes_init_module.f90
pw.x 0000000000A443CA qexsd_input_mp_qe 194 qexsd_input.f90
pw.x 00000000005C39C9 pw_init_qexsd_inp 385 pw_init_qexsd_input.f90
pw.x 0000000000529799 iosys_ 1587 input.f90
pw.x 00000000005EAAA0 run_pwscf_ 86 run_pwscf.f90
pw.x 000000000046CA13 MAIN__ 103 pwscf.f90
pw.x 000000000046C856 Unknown Unknown Unknown
libc.so.6 00002ADDE4400D5D Unknown Unknown Unknown
pw.x 000000000046C749 Unknown Unknown Unknown
--------------------------------------------------------------------------
mpirun.omp has exited due to process rank 6 with PID 27568 on
node c5511 exiting improperly. There are two reasons this could occur:
1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.
2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"
This may have caused other processes in the application to be
terminated by signals sent by mpirun.omp (as reported here).
--------------------------------------------------------------------------
Best,
Shaofeng Wang
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