This is a known issue, that will be fixed in future releases. Pablo.
El 08/07/09 16:12, "Reza Kalantari" <rkalant...@aut.ac.ir> escribió: > Dear all SIESTA users > > > Hi, > > Recently I start to work with OrderN solution method for medium size systems > which contain C, O, H and N atoms. I found in one Prof. Pablo Ordejَn 's > presentation document that for converging of these systems we can use > ON.ChemicalPotentiaUse=True but I can not use it becuase in parallel run mode, > an error appears which say there is error in MPI-AllReduce. Normally I can run > on my machine OrderN simulation and this error only happens when I use > ON.ChemicalPotentialUse flag in my input file. > > Would you please help me? > > > > Best Regards > Reza Kalantari-Nezhad > PhD. Student > AmirKabir University of Technology > Home: +98-21-77465193 > Mobile: +98-912-7633204 > Mobile: +98-935-2578543 > ---------------------------------------------------------------------------- Prof. Pablo Ordejon CIN2: Centre d'Investigació en Nanociència i Nanotecnologia (CSIC-ICN) Postal Address (temporary): CIN2 Edificio ETSE, Planta 2, Despacho QC-2107 Campus de la U.A.B. 08193 Bellaterra, Barcelona (Spain) Phone: +34 93 581 37 98 Fax: +34 93 581 37 97 Email: pablo.orde...@cin2.es
