vasp 5.2.11 with climbing image NEB from UT Theory group
Posted: Tue Dec 14, 2010 3:41 pm
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.
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.