From owner-chemistry@ccl.net Fri Oct 14 16:38:00 2011
From: "Close, David M. CLOSED|,|mail.etsu.edu" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL:G: ERROR 502 IN GO03
Message-Id: <-45640-111014163614-30941-iISZevllvk+yX9Trnayj4w++server.ccl.net>
X-Original-From: "Close, David M." <CLOSED*mail.etsu.edu>
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Date: Fri, 14 Oct 2011 20:36:05 +0000
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Sent to CCL by: "Close, David M." [CLOSED[-]mail.etsu.edu]
Zohreh:
  It looks like you are out of available disk space to write temporary files.  That's generally what
Mxcore indicates.  I do not know that domoic acid is, so I have no idea what space is required.  If you could sent the input file, I'm sure that someone on the CCL list will know just what this problem
Is.  It might also help to know what machine you are working on.
  Regards, Dave Close.



Sent to CCL by: Arne Dieckmann [adieckma~!~googlemail.com]
Your input file would come in handy. Could you please send it? 

Arne

On Oct 10, 2011, at 3:09 PM, "ZOHREH TAHERI VENUS_Z354 . YAHOO.COM" <owner-chemistry ~~ ccl.net> wrote:

> 
> Sent to CCL by: "ZOHREH  TAHERI" [VENUS_Z354 . YAHOO.COM]
> 
> Dear CCL subscribers,
> I have to calculate "the energy" with gaussian 03 of domoic acid in water
> as solvent with PCM model: please which commandes are used in the end of 
> the
> input file to heve a normal termination of file.
> I found the error 502 at the end of my out file as follow.Please help me
> 
> -----
> One-electron integrals computed using PRISM.
> NBasis=   349 RedAO= T  NBF=   349
> NBsUse=   349 1.00D-06 NBFU=   349
> Harris functional with IExCor=  402 diagonalized for initial guess.
> ExpMin= 1.03D-01 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=1 IRadAn=         1 
> AccDes= 1.00D-06
> HarFok:  IExCor= 402 AccDes= 1.00D-06 IRadAn=         1 IDoV=1
> ScaDFX=  1.000000  1.000000  1.000000  1.000000
> Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
> Requested convergence on MAX density matrix=1.00D-06.
> Requested convergence on             energy=1.00D-06.
> No special actions if energy rises.
> PCMQM-DMIVC allocation failure:  iend,mxcore=  11112228   5649905
> Error termination via Lnk1e in C:\G03W\l502.exe at Sat Oct 01 21:05:04 
> 2011.
> Job cpu time:  0 days  0 hours  1 minutes  9.0 seconds.
> File lengths (MBytes):  RWF=    3
> 2 6 Int=      0 D2E=      0 Chk=     35 Scr=      1http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt