[Wien] lapw1(c)_mpi crash in the initialization procedure
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Wed Mar 16 14:29:39 CET 2005
> The modules.F file should contain the line
I just compared the modules.F versions of WIEN2k with the one sent by
Renate.
Besides the BLOCKSIZE=48 vs 80, there is a small difference when
setting LLD, but for me this looks not so important (though it may be in
special cases).
< lld = max(1,numroc(N, blocksize, myrow, 0, npe))
---
> lld = numroc(N, blocksize, myrow, 0, npe)
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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