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vasp 5.2.11 with climbing image NEB from UT Theory group

Posted: Tue Dec 14, 2010 3:41 pm
by imcnab
Dear All,
just built vasp 5.2.11 with the additional modules for climbing image NEB from the UT Theory group.

I had some problems getting a build on SciNet (IBM power 6 cluster, AIX os, mpxlf90 compiler).

Graeme at UT Theory group was able to help me
(http://theory.cm.utexas.edu/forum/viewt ... ?f=2&t=787)

I needed to ammend modules as follows:
dynconstr.F
dimer_heyden.F
gadget.F
- all required "USE main_mpi" added to the existing USE statements.

hessian.F
- required "USE base" added to the existing USE statements.

The build of vasp.5.2.11 with climbing image then builds OK.