From owner-chemistry@ccl.net Tue Jan 4 01:54:00 2011 From: "Jean Jules FIFEN julesfifen=-=gmail.com" To: CCL Subject: CCL: termination error Message-Id: <-43505-110103114654-28447-j6PmGBbp8XVVIT09Z0ATZA%a%server.ccl.net> X-Original-From: Jean Jules FIFEN Content-Type: multipart/alternative; boundary=0016362849f8a346290498f3e590 Date: Mon, 3 Jan 2011 17:46:43 +0100 MIME-Version: 1.0 Sent to CCL by: Jean Jules FIFEN [julesfifen[]gmail.com] --0016362849f8a346290498f3e590 Content-Type: text/plain; charset=ISO-8859-1 This type of error message is due to a bad or lack of checkpoint file. Would you please give details on your input files? On 2 January 2011 12:31, mahshid - saberinasab saberinasabmahshid||yahoo.com wrote: > > Sent to CCL by: "mahshid - saberinasab" [saberinasabmahshid#%#yahoo.com] > Hi all, > I'm doing an optimization at DFT level, applying B3LYP, 6-31G* basis set > and specifying the solvent. It was beginning very well but after a while it > was stopped by following message: > Error termination in NtrErr: NtrErr Called from File > --------------------------------------------------------------------------- > > dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = > 512 > defal = T LstWrd = 66048 FType=2 FMxFil=10000 > > Number 0 > Base 20480 > End 66048 > End1 66048 > Wr Pntr 20480 > Rd Pntr 20480 > Length 45568 > Error termination in NtrErr: > NtrErr Called from FileIO. > > ---------------------------------------------------------------------------- > In advance, thanks for any assistance. > M.saberinasab> > > -- J. Jules. --0016362849f8a346290498f3e590 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
This type of error message is due to a bad or lack of chec= kpoint file. Would you please give details on your input files?

On 2 January 2011 12:31, mahshid - saberinasab saber= inasabmahshid||yahoo.com <owner-chemistry]|[ccl.net= > wrote:

Sent to CCL by: "mahshid - saberinasab" [saberinasabmahshid#%#yahoo.com]
Hi all,
I'm doing an optimization at DFT level, applying B3LYP, 6-31G* basis se= t and specifying the solvent. It was beginning very well but after a while = it was stopped by following message:
Error termination in NtrErr: =A0NtrErr Called from File
---------------------------------------------------------------------------=

dumping /fiocom/, unit =3D 3 NFiles =3D =A0 =A0 1 SizExt =3D =A0 =A0524288 = WInBlk =3D =A0 =A0 =A0 512
=A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 defal =3D T LstWrd =3D =A0 =A0 =A0 660= 48 FType=3D2 FMxFil=3D10000

=A0Number =A0 =A0 =A0 =A0 =A0 0
=A0Base =A0 =A0 =A0 =A0 20480
=A0End =A0 =A0 =A0 =A0 =A066048
=A0End1 =A0 =A0 =A0 =A0 66048
=A0Wr Pntr =A0 =A0 =A020480
=A0Rd Pntr =A0 =A0 =A020480
=A0Length =A0 =A0 =A0 45568
=A0Error termination in NtrErr:
=A0NtrErr Called from FileIO.
---------------------------------------------------------------------------= -
=A0In advance, thanks for any assistance.
M.saberinasab



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--
J. Jul= es.

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