[molpro-user] memory allocation in mrcc
Kirk Peterson
kipeters at wsu.edu
Wed Jun 21 20:29:29 BST 2006
This seems like an all too familiar problem, but one I've not faced
in a while: when running the MRCC program of Kallay, either as
interfaced via Molpro or standalone, I can't seem to get past a 2GB
memory allocation limit. This is on an Opteron system with 8GB of
RAM and I have no problems at all with Molpro. The program has been
compiled with pgf90 v5.1. I've tried both the c and f90 versions of
xalloc provided with mrcc. The program has been compiled with -i8,
etc., etc. Am I missing something embarrassingly simple? It's just
trying to do a malloc, and sizes of 2048 or higher yields a null
pointer and error out. I'd appreciate any comments.
thanks in advance,
Kirk
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