From chemistry-request%!at!%server.ccl.net Wed Oct 3 07:09:55 2001 Received: from ccusv5.unical.it ([160.97.7.5]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id f93B9rB12587 for ; Wed, 3 Oct 2001 07:09:54 -0400 Received: from giorgio (chpcrs5.chimica.unical.it [160.97.42.131]) by ccusv5.unical.it (8.11.5/8.11.5) with SMTP id f93BEGb08564 for ; Wed, 3 Oct 2001 13:14:17 +0200 Message-ID: <00f801c14bfc$675bdd40$832a61a0 -A_T- chimica.unical.it> From: "Giorgio De Luca" To: Subject: kernel 2.2 linux Date: Wed, 3 Oct 2001 13:13:17 +0200 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_00F5_01C14C0D.2A6F2F20" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2615.200 X-MIMEOLE: Produced By Microsoft MimeOLE V5.00.2615.200 This is a multi-part message in MIME format. ------=_NextPart_000_00F5_01C14C0D.2A6F2F20 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi CCLers, I have a pentium III dual processors with linux 6.2 and kernel = 2.2.15-3SGI_32 smp-bigmen. With this system some gaussian98 input tests, like test338.com, give = this kind of error: Initial convergence to 1.0D-05 achieved. Increase integral accuracy. Warning! Spurious integrated density: NE=3D 42 NElCor=3D 0 Integral=3D 54.99274 Tolerance=3D1.00D-03 Consistency failure #2 in CalDSu. Error termination via Lnk1e in /home/gaussian/g98/l502.exe. Job cpu time: 0 days 0 hours 2 minutes 47.5 seconds. File lengths (MBytes): RWF=3D 36 Int=3D 0 D2E=3D 0 Chk=3D 2 = Scr=3D I have some informations that point out the kernel version as the = problem. Do you have experience to confirm this conclusion or not ? Thank you in advance. G. De luca. ps. I try several different optmization flags, but I don't obtain = results. ------=_NextPart_000_00F5_01C14C0D.2A6F2F20 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

Hi CCLers,

I have a pentium III dual = processors with=20 linux 6.2 and kernel 2.2.15-3SGI_32 smp-bigmen.

With this system some gaussian98 input = tests, like=20 test338.com, give this kind of error:

Initial convergence to 1.0D-05 = achieved. =20 Increase integral accuracy.
Warning! Spurious integrated=20 density:
NE=3D 42 NElCor=3D 0 = Integral=3D =20 54.99274 Tolerance=3D1.00D-03
Consistency failure #2 in = CalDSu.
Error=20 termination via Lnk1e in /home/gaussian/g98/l502.exe.
Job cpu = time: 0=20 days 0 hours 2 minutes 47.5 seconds.
File lengths = (MBytes): =20 RWF=3D 36 Int=3D 0 = D2E=3D 0=20 Chk=3D 2 Scr=3D

I have some informations that point out = the kernel=20 version as the problem.

Do you have experience to confirm this = conclusion=20 or not ?

Thank you in advance.

G. De luca.

ps. I try several different = optmization=20 flags, but I don't obtain results.

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