>From the provided information it is hard for us to pin down the problem. Could you please follow these steps:
https://answers.launchpad.net/siesta/+faq/2779 such that we can figure out what has gone wrong? 2017-09-20 15:20 GMT+02:00 Ankita Joshi <joshi.dcy2...@iitr.ac.in>: > Dear SIESTA users, > > I am using SIESTA version 4.0. I am getting the following error in the > end of the output file for transiesta run. > > > > > > *netCDF error: NetCDF: Invalid argumentStopping Program from Node: > 0--------------------------------------------------------------------------MPI_ABORT > was invoked on rank 0 in communicator MPI_COMM_WORLDwith errorcode 1.* > > > *NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.You > may or may not see output from other processes, depending onexactly when > Open MPI kills them.* > -------------------------------------------------------------------------- > > I think that the problem occur due to improper installation of transiesta > as I faced the problem during its installation. > > After installing siesta (https://pelios.csx.cam.ac.uk/~mc321/siesta.html), > I tried to install Transiesta but got the error "make: *** No rule to make > target `libnetcdf_f90.a', needed by `transiesta'. Stop." > > Then, I searched the mailing list and someone has suggested to comment the > line NDF_INTERFACE in the arch.make file. I did that and successfully > installed the transiesta but I don't know whether this is correct or not. > Can anyone suggest something? > > Thanks, > > With regards > Ankita > > > -- Kind regards Nick