From owner-chemistry@ccl.net Sat May 28 03:11:01 2016 From: "Naser E. Taha nasertaha90###yahoo.co.uk" To: CCL Subject: CCL: Optimization problem "fname=C:\G09W\Scratch\gxx.scr fd = -1" Message-Id: <-52223-160528030533-15192-dI/TWcPS7EK556KuJCIj9w.@.server.ccl.net> X-Original-From: "Naser E. Taha" Date: Sat, 28 May 2016 03:05:32 -0400 Sent to CCL by: "Naser E. Taha" [nasertaha90*_*yahoo.co.uk] Dear All, I am trying to optimize a molecule using rb3lyp/6-31++g(d,p) then the optimization failed and I got this at the end of log file Cartesian Forces: Max 0.000481895 RMS 0.000122239 fname=C:\G09W\Scratch\gxx.scr fd = -1 open-new-file Any suggestions is appreciated. Thank you Naser Taha From owner-chemistry@ccl.net Sat May 28 21:38:01 2016 From: "David Shobe avidshobe!=!yahoo.com" To: CCL Subject: CCL:G: Optimization problem "fname=C:\G09W\Scratch\gxx.scr fd = -1" Message-Id: <-52224-160528205942-16734-hI/I2hNdAzryP3ZBftFmIw{}server.ccl.net> X-Original-From: David Shobe Content-Type: multipart/alternative; boundary="----=_Part_862914_222162822.1464483414722" Date: Sun, 29 May 2016 00:56:54 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: David Shobe [avidshobe^yahoo.com] ------=_Part_862914_222162822.1464483414722 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Dear Naser, It looks like you ran out of disk space (or perhaps the amount of disk spac= e that Gaussian can use per calculation, especially if you're using the les= s expensive 32-bit version of Gaussian 09). --David Shobe =20 On Saturday, May 28, 2016 3:37 AM, Naser E. Taha nasertaha90###yahoo.co= .uk wrote: =20 =20 Sent to CCL by: "Naser E. Taha" [nasertaha90*_*yahoo.co.uk] Dear All, I am trying to optimize a molecule using rb3lyp/6-31++g(d,p) then the=20 optimization failed and I got this at the end of log file Cartesian Forces:=C2=A0 Max=C2=A0 =C2=A0 0.000481895 RMS=C2=A0 =C2=A0 0.000= 122239 fname=3DC:\G09W\Scratch\gxx.scr fd =3D -1 open-new-file Any suggestions is appreciated. Thank you Naser Taha -=3D This is automatically added to each message by the mailing script =3D-=C2=A0 =C2=A0 =C2=A0=C2=A0 =C2=A0 =C2=A0Subscribe/Unsubscribe:=20 =C2=A0 =C2=A0 =C2=A0Job: http://www.ccl.net/jobs=20=C2=A0 =C2=A0 =C2=A0------=_Part_862914_222162822.1464483414722 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable

Dear Naser,

=

It looks like you ran out of disk space (or perha= ps the amount of disk space that Gaussian can use per calculation, especial= ly if you're using the less expensive 32-bit version of Gaussian 09).

<= /div>

--David Shobe<= /span>

On Saturday, May 28, 2016 3:37 AM, Naser E. Tah= a nasertaha90###yahoo.co.uk <owner-chemistry%ccl.net> wrote:

Sent to CCL by: "Nase= r E. Taha" [nasertaha90*_*yahoo.co.uk]
Dear All,

I am trying to o= ptimize a molecule using rb3lyp/6-31++g(d,p) then the
optimization fail= ed and I got this at the end of log file

Cartesian Forces: Max= 0.000481895 RMS 0.000122239
fname=3DC:\G09= W\Scratch\gxx.scr fd =3D -1

open-new-file

Any suggestions is= appreciated.

Thank you

Naser Taha

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