Hello!
I start using Transiesta that came with siesta-3.0-b. All the test
works fine. I'm running in parallel. It was compiled with
intel fortran 10.1 -- intel MKL 10 and MPICH 1.2.7.
I try with my system but the run crash when starts with the out of
equilibrium calculations. before that everything works fine.
Next, the last lines of the output file
----------------------------------------------------------------------------------
L-ELEC: lastoL: 0 15 30 45 60
75 90 105 120
R-ELEC: lastoR: 0 15 30 45 60
75 90 105 120
TRANSIESTA: Initializing lists
>From SIESTA: Efermi= -5.479
qc0 : 0.000
qcn0 : 130.327
nou,NGL,NGR: 515 120 120
ERROR: getsfe: ZEnergy= (0.000000000000000E+000,5.969243656534376E-003)
expected: (0.000000000000000E+000,3.720314313184586E-321) in processor
6
ERROR in getsfe
ERROR STOP from Node: 0
p0_8994: p4_error: : 1
p0_8994: (2230.691406) net_send: could not write to fd=4, errno = 32
----------------------------------------------------------------------------------------------------
The "getsfe" subroutine reads the recent created GF files, and seems
to be an error from parallel run. Any help?
Thanks in advance!
Christian
Lic. Christian Helman
Gerencia de Investigaciones y Aplicaciones
Centro Atómico Constituyentes-CNEA
Argentina
Tel:++54-11-6772-7102
