Hi Federico! Nice to be in contact with you again! As you suggest I check the energy contour options, I don't change anything but: This error appear only when the bias is 0.01 eV (at least in my system). Originally the run was from a sequence of bias. Starting from 0.0001 eV to 0.1 eV. All of these run don't complain except the one with bias equal to 0.01 eV. I check starting from scratch for this bias and I get exactly the same error! Any idea? Thanks!!
Christian 2009/12/4 Frederico Dutilh Novaes <[email protected]>: > Hello Christian, > > How are you ? > My guess is that you must have changed the energy contour options with > respect to the previous run where you generated the .GF files ... > > Best wishes, > > Frederico. > > > On Fri, Dec 4, 2009 at 8:15 PM, Christian helman > <[email protected]> wrote: >> >> 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 >> >> >> >> -- >> Lic. Christian Helman >> Gerencia de Investigaciones y Aplicaciones >> Centro Atómico Constituyentes-CNEA >> Argentina >> Tel:++54-11-6772-7102 > > -- Lic. Christian Helman Gerencia de Investigaciones y Aplicaciones Centro Atómico Constituyentes-CNEA Argentina Tel:++54-11-6772-7102
