[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,


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