[SIESTA-L] B3LYP in siesta?

David Prendergast Lawrence Berkeley National Laboratoryphone: (510) 486-4948 Molecular Foundryfax: (510) 486-7424 1 Cyclotron Rd., MS 67-3207 email: [EMAIL PROTECTED] Berkeley, CA 94720 web: http://civet.berkeley.edu

[SIESTA-L] Bug in iohs.F

Hi all, I had some trouble running the example in $SIESTA/Tests/h2o for siesta-2.0.1 on more than one process (ie using MPI). This test tries to output H and S using save-hs T Examing the file iohs.F, it looks like there are units that are opened for file i/o by process 0. All processes try to c