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
