Re: CCL:formchk erro
- From: Jason Thompson <Thompson.Jason1 (a) mayo.edu>
- Subject: Re: CCL:formchk erro
- Date: Mon, 13 Jun 2005 08:06:38 -0500
I believe you need to use the GAUSS_MEMDEF environment variable, which
allows you to set the memory (in words) available for G03 utilities
(these utilities use 6 MW by default). For example:
setenv GAUSS_MEMDEF 1900000
for tcsh
GAUSS_MEMDEF=1900000;export GAUSS_MEMDEF
for bash, etc.
See:
http://www.gaussian.com/g_ur/m_utils.htm
near the bottom.
On Jun 12, 2005, at 7:04 AM, renyanliang wrote:
Dear everybody
when I used the formchk to convert the file (gauss
03 C02 for sgi), I found one erro as following:
Read checkpoint file 1prc-pbh-uff-zindo-pop.chk
Write formatted file 1prc-pbh-uff-zindo-pop.fchk
Out-of-memory error in routine FChkPn-MO (IEnd=
19876291 MxCore= 6291456)
Use %mem=19MW to provide the minimum amount of memory
required to
complete this step.
Error termination via Lnk1e at Fri Jun 10 07:34:06
2005.
Segmentation fault
hope u can give me some advice.
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Jason D. Thompson
Molecular Pharmacology and Experimental Therapeutics
Mayo Clinic
Guggenheim 6-93
200 First Street SW
Rochester, MN 55905
(507)-284-1758