Dear Zhang I appreciate your reply. I will try it.
thank you very much CGRocha On 20 January 2012 18:00, Guangping Zhang <[email protected]> wrote: > Dear Gomes Rocha, > > The K-points in the transvers direction for electrodes and the scattering > region should be exactly the same. > > Best > > > 2012-01-20 > ________________________________ > Guangping Zhang > ________________________________ > 发件人：Gomes Rocha > 发送时间：2011-11-28 23:17 > 主题：[SIESTA-L] Transiesta problems > 收件人：siesta-l > 抄送： > > Dears, > > I have problems in running transiesta where I find this sort of message: > > Begin LEFT > System Gamma: F > Electrode Gamma: T > ts_iohs: Non-TSgamma information not present > ERROR STOP from Node: 0 > > BTW, the compilation of siesta itself seems to be working. > > I tried to find a suggestion on the archives but there was any. > This error only occurs when I compiled transiesta in parallel > using the flags (there are specifications set by the high performance > computer center): > > .SUFFIXES: > .SUFFIXES: .f .F .o .a .f90 .F90 > > SIESTA_ARCH=vuori-mpi-pgi > > FC=mpif90 > FFLAGS=-fast > FPPFLAGS= -DMPI -DFC_HAVE_ABORT -DCDF -DGRID_DP -DPHI_GRID_SP > FFLAGS_DEBUG=-g -O0 > > In my own machine, I ran serial and it worked. I am trying to obtain > the transmission of a simple carbon nanoribbon that I also attach > the fdf file in this email. > > I am already thankful. > > best > > CGRocha >
