[molpro-user] segmentation error

Glen Jenness grj3+ at pitt.edu
Thu May 31 17:46:29 BST 2007


Dear Molpro Users,
I'm getting a

0:Segmentation Violation error, status=: 11
  0: ARMCI aborting 11 (0xb).
tmp =
/home/new_jordan/glen/pdir//usr/prog/molpro2006.1_patched/lib/molprop_2006_1_i8_x86_64_tcgmsg.exe.p
 Creating: host=node079, user=glen,
           file=/usr/prog/molpro2006.1_patched/lib/molprop_2006_1_i8_x86_64_tcgmsg.exe,
port=50983

error when I'm trying to do a single point with a user defined density
functional with 75 atoms.  I've used this functional a number of times
without any fault on smaller systems, but for some reason I keep getting
it when I go out to a larger set.
Can anyone tell me what this means?
Thanks,
Glen Jenness
Jordan Group
Department of Chemistry
University of Pittsburgh




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