From chemistry-request@server.ccl.net  Mon Jul  3 13:07:48 2000
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Message-ID: <001501bfe511$5c3bf060$d43b8286@dorf.rwthaachen.de>
From: "Krzysztof Radacki" <krys.radacki@ac.rwth-aachen.de>
To: <chemistry@ccl.net>
Subject: Problem with stability of linux
Date: Mon, 3 Jul 2000 19:08:51 +0200
Organization: AC RWTH Aachen


Hi,
I got some problems with the linux-box on which I work.
Real often the maschine hang during gaussian calculations
in SMP-modus with following message (just example):
====
Unable to handle kernel NULL pointer dereference at virtual adress
00000018
current -> tss.cr3 = 0e0a6000, %cr3 = 0e0a6000
*pde = 00000000
Oops = 0000
CPU = 1
EIP = 0010: [<c0111478>]
EFLAGS: 00010207
ax: a7553000 ebx: daad4000 ecx: 00000000 edx: c023c000
esi: 00000000 edi: 00000000 edp: daad5fbe esp: daad5f9c
de: 0018  ec: 0018  sw: 0019
Process l502.exe (pid:727, process nr:7, stackpage: daad5f9c
Stack: 00000000....... some lines
CallTrace : [<c0...>]
Code: 8b 41 18 c1 f8 d1 03 41 1c 89 41 18
8b 49 34 81 f9 00 c0 23
======
The questions: why  and what should I do again   :)
Is it problem of software (I've change the kernel and I can't see any =
difference),
is it SMP-hardware or maybe memory? How can I test it?

regards
Krzys Radacki


From chemistry-request@server.ccl.net  Tue Jul  4 09:55:32 2000
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Date: Tue, 04 Jul 2000 15:55:24 +0200
From: dck <kleb@citrin.chemie.uni-dortmund.de>
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Subject: CCL: geometry with an applied electrical field?
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Dear CCLers!

Does anyone know what quantumchemical program is able to optimize a 
geometry with an applied electrical field? All programs that I have 
used until now allow only single point calculations with an E-field.

Thanks in advance,

Dirk


From chemistry-request@server.ccl.net  Tue Jul  4 11:44:14 2000
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Reply-To: Alain Borel <Alain.Borel@icma.unil.ch>
Organization: University of Lausanne
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From: Alain Borel <Alain.Borel@icma.unil.ch>
To: chemistry@ccl.net
Subject: RE: CCL:Problem with stability of linux


On 03-Jul-00 Krzysztof Radacki wrote:
> 
> Hi,
> I got some problems with the linux-box on which I work.
> Real often the maschine hang during gaussian calculations
> in SMP-modus with following message (just example):
> ====

< sad example of stack trace dump deleted>

> ======
> The questions: why  and what should I do again   :)
> Is it problem of software (I've change the kernel and I can't see any
> difference),
> is it SMP-hardware or maybe memory? How can I test it?

What kernel version are you running? I can assure you that some versions
are _rock_solid_! My best uptime so far has been 419 days (unfortunately
a hardware upgrade forced me to shutdown...)
However I must admit that I don't have to much experience with SMP under
Linux.

If you want to test your memory, you might want to check memtest86 (assuming
you're using Linux on an Intel-compatible system, of course):
http://reality.sgi.com/cbrady_denver/memtest86/

----------------------------------
Alain Borel <aborel@icma.unil.ch>     Year 2000: not the 21st century
Date: 04-Jul-00 Time: 17:37:55


From chemistry-request@server.ccl.net  Tue Jul  4 11:59:34 2000
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From: Jochen Kuepper <Jochen@pc1.uni-duesseldorf.de>
To: Krzysztof Radacki <krys.radacki@ac.rwth-aachen.de>
Cc: chemistry@ccl.net
Subject: CCL:Problem with stability of linux
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Krzysztof Radacki writes:
 > I got some problems with the linux-box on which I work.
 > Real often the maschine hang during gaussian calculations
 > in SMP-modus with following message (just example):
 > ====
 > Unable to handle kernel NULL pointer dereference at virtual adress
 > 00000018
 > current -> tss.cr3 = 0e0a6000, %cr3 = 0e0a6000
 > *pde = 00000000
 > Oops = 0000
 > CPU = 1
 > EIP = 0010: [<c0111478>]
 > EFLAGS: 00010207
 > ax: a7553000 ebx: daad4000 ecx: 00000000 edx: c023c000
 > esi: 00000000 edi: 00000000 edp: daad5fbe esp: daad5f9c
 > de: 0018  ec: 0018  sw: 0019
 > Process l502.exe (pid:727, process nr:7, stackpage: daad5f9c
 > Stack: 00000000....... some lines
 > CallTrace : [<c0...>]
 > Code: 8b 41 18 c1 f8 d1 03 41 1c 89 41 18
 > 8b 49 34 81 f9 00 c0 23
 > ======
 > The questions: why  and what should I do again   :)
 > Is it problem of software (I've change the kernel and I can't see any =
 > difference),
 > is it SMP-hardware or maybe memory? How can I test it?

Looks like a kernel problem (due to hardware failure or not). Do some
oops-tracing (look in your kernel sources for documentation) and ask
on linux mls or newsgroups.

Jochen
-- 
Heinrich-Heine-Universität, Institut für Physikalische Chemie I
Universitätsstr. 1, Geb. 26.43 Raum 02.29
40225 Düsseldorf, Germany                phone ++49-211-8113681
http://www.Jochen-Kuepper.de               fax ++49-211-8115195


