Re: [SIESTA-L] semicore state meaning

://opium.sourceforge.net/ Scott Beckman Assistant Professor Department of Material Science and Engineering Iowa State University sbeck...@iastate.edu On 7/13/09 2:57 PM, Hui Tang hui.t...@yale.edu wrote: When we build a pseudopotential (psp), we froze the inner core states and treat only the valence

Re: [SIESTA-L] Compile problem : redeclared MPI data types

and what they control? Once I've optimized my arch.make, I'll post is here. Best, Scott Beckman Assistant Professor Department of Material Science and Engineering Iowa State University sbeck...@iastate.edu On 7/3/09 8:09 AM, Junquera Quintana, Francisco Javier javier.junqu...@unican.es wrote

[SIESTA-L] Compile problem : redeclared MPI data types

-up to post the solution. I¹ve tried making changes to the mpi.F and other source files in an attempt to understand the origin of this problem, but have been unsuccessful. Any help or suggestions would be very welcome. Thank you for your time with this problem. Sincerely, Scott Beckman

Re: [SIESTA-L] Compile problem : redeclared MPI data types

first use of it) There must be some reason that the line-wrap used above does not work, but my F77 style does... However, I¹m confused by this because lower in mpi.F the does appear to work as a line-wrap. Is there a flag that I¹m missing? On 7/1/09 9:14 AM, Scott Beckman sbeck