Re: [SIESTA-L] TBtrans netcdf

2017-12-22 Por tôpico Jean-Joseph Adjizian
Dear Nick, Thank you for your response, I made corrections to my arch.make according to your suggestions. The error was due to mpif90 for some reason in my arch.make. I tried to use mpiifort instead and that just compiled with no error. Is there a specific reason why mpif90 caused a

Re: [SIESTA-L] TBtrans netcdf

2017-12-18 Por tôpico Nick Papior
Dear jean-jo When using intel compilers you should add this to your arch.make: # The atom.f code is very vulnerable. Particularly the Intel compiler # will make an erroneous compilation of atom.f with high optimization # levels. atom.o: atom.F $(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS)

[SIESTA-L] TBtrans netcdf

2017-12-15 Por tôpico Jean-Joseph Adjizian
Dear all, I am  trying to install TBtrans with NETCDF dependencies using the latest version 4.1-b3. The libraries i am using are intelmpi/2017.3.196/64  and mkl/lp64/11.2.4.223. Any installation (Siesta, transiesta) with these libraries work just fine without netcdf. It is only when I add