Subject: formchk problem

From: "WANG, YIXUAN " <WANGYI<<at>>engr.sc.edu>
Date: Mon, 25 Aug 2003 15:57:22 -0400

Dear CCL-ers,

We are trying to convert a check point file of a medium-size system
(>150 atoms, basis functions ~2000)
into a formatted form with formchk. The error message reads
 
formchk e300.chk>

Read checkpoint file e300.chk
 Write formatted file e300.fchk
 FChkPn allocation failure:  iend,mxcore=   3944196   2999478
 Error termination via Lnk1e.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
cannot read in formchk

as I understand it may be due to the default memory of formchk
is not enough, since it really works well for small systems. Whatever
causes it, could somebody have an idea to solve it? Thanks in advance.

Yixuan

Chem. Engineering
Univ. South Carolina