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
