[CPMD-list] CPMD 3.5.2. on Itanium/Linux
Fred P. Arnold
fparnold at mercury.chem.northwestern.edu
Tue Jul 2 22:08:33 CEST 2002
Hello,
I tried building CPMD 3.5.2 on Linux/Itanium (RH 7.2, Intel EFC 6.0, GCC
3.1), and ran into a problem when running it. Whereas the simple silicon
case from the manual converges readily on IA-32 or Suns, it reports
ODIIS| Insufficient progress; reset!
every few steps, and never seems to converge.
Any thoughts on this behaviour?
Frederick P. Arnold, Jr.
NUIT, Northwestern U.
f-arnold at northwestern.edu
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