[Smeagol-discuss] Problem: Leads decimation
asa aravindh
mails2asa at gmail.com
Mon Feb 23 10:42:40 GMT 2009
Dear all..
I have been trying to run transport calculation of Fe nanowire grown in the
bcc-110 direction . The leads part is running successfully , but while going
to the scattering part, the program stops at certain point..printing these
lines in the output
* Maximum dynamic memory allocated = 1 MB
siesta: ===============================
SMEAGOL Bias step = 0, V = 0.000 Ry
Begin CG move = 0
===============================
InitMesh: MESH = 288 x 200 x 36 = 2073600
InitMesh: Mesh cutoff (required, used) = 200.000 210.295 Ry
* Maximum dynamic memory allocated = 173 MB
gensvd: Leads decimation
gensvd: Dim of H1 and S1 : 135
gensvd: Rank of H1: 26
gensvd: Rank of (H1,S1): 89
gensvd: Decimated states: 20
gensvd: Decimation from the right
gensvd: Leads decimation
gensvd: Dim of H1 and S1 : 135
gensvd: Rank of H1: 26
gensvd: Rank of (H1,S1): 89
gensvd: Decimated states: 20
gensvd: Decimation from the right
gensvd: Leads decimation
gensvd: Dim of H1 and S1 : 135
gensvd: Rank of H1: 26
gensvd: Rank of (H1,S1): 89
gensvd: Decimated states: 20
gensvd: Decimation from the right
gensvd: Leads decimation
gensvd: Dim of H1 and S1 : 135
gensvd: Rank of H1: 26
gensvd: Rank of (H1,S1): 89
gensvd: Decimated states: 20
gensvd: Decimation from the right
p0_7749: p4_error: interrupt SIGSEGV: 11
I am attaching my input files along with..Can anybody point out wat is going
wrong??
Thanks in advance
asa
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