Quote:Edoapra Sep 20th 11:29 amSam99,
I have a couple of questions/suggestions
1) When does the segmentation violation occur, in other words, do you get any NWChem output at all before the failure?
2) Most of your settings seem OK to me. The only one that might cause problem is the CFLAGS setting.
I think that you should unset it and recompile
Thanks for a quick reply.
1) I do, it reaches the point
Screening Tolerance Information
-------------------------------
Density screening/tol_rho: 1.00D-10
AO Gaussian exp screening on grid/accAOfunc: 14
CD Gaussian exp screening on grid/accCDfunc: 20
XC Gaussian exp screening on grid/accXCfunc: 20
Schwarz screening/accCoul: 1.00D-08
and then I get the error message
2) I'll try that
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