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 >
