From chemistry-request@server.ccl.net Fri Jun 28 01:20:13 2002 Received: from pharmacy.pharm.usyd.edu.au ([129.78.154.1]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5S5KCW10577 for ; Fri, 28 Jun 2002 01:20:12 -0400 Received: from [129.78.154.44] (pc-012.pharm.usyd.edu.au [129.78.154.44]) by pharmacy.pharm.usyd.edu.au (8.11.3/8.11.0.Beta1) with ESMTP id g5S5K0G08677 for ; Fri, 28 Jun 2002 15:20:05 +1000 (EST) User-Agent: Microsoft-Outlook-Express-Macintosh-Edition/5.02.2022 Date: Fri, 28 Jun 2002 15:21:27 +1000 Subject: DOCK 4.0 Error Message From: Michael Ivery To: Message-ID: Mime-version: 1.0 Content-type: text/plain; charset="US-ASCII" Content-transfer-encoding: 7bit Dear All, I am trying to use DOCK 4.0 for first time. On running dock demo_script get error message ERROR get-parameters Chemical Screen Intervals >30! Does anyone know what this means. Best Wishes Michael Ivery Faculty of Pharmacy University of Sydney e-mail: michaeli@pharm.usyd.edu.au From chemistry-request@server.ccl.net Fri Jun 28 03:39:59 2002 Received: from sirene.rz.uni-duesseldorf.de ([134.99.128.2]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5S7dxW12606 for ; Fri, 28 Jun 2002 03:39:59 -0400 Received: from conversion-daemon by neptun.rz.uni-duesseldorf.de (Sun Internet Mail Server sims.4.0.2000.10.12.16.25.p8) id <0GYE00201NYH3V@neptun.rz.uni-duesseldorf.de> for chemistry@ccl.net; Fri, 28 Jun 2002 09:39:53 +0200 (MEST) Received: from mail.rz.uni-duesseldorf.de (mail.rz.uni-duesseldorf.de [134.99.128.30]) by neptun.rz.uni-duesseldorf.de (Sun Internet Mail Server sims.4.0.2000.10.12.16.25.p8) with ESMTP id <0GYE00070NYHV3@neptun.rz.uni-duesseldorf.de> for chemistry@ccl.net; Fri, 28 Jun 2002 09:39:53 +0200 (MEST) Date: Fri, 28 Jun 2002 09:39:53 +0200 (MEST) From: konietz@uni-duesseldorf.de Subject: Was: Semiempirical AIM In-reply-to: <3D1B1DD9.1BABFA24@trentu.ca> X-Sender: konietz@neptun To: chemistry@ccl.net Message-id: MIME-version: 1.0 Content-type: TEXT/PLAIN; charset=US-ASCII Content-transfer-encoding: 7BIT Hello, the problem of semiempirical AIM seems to be the same as for AIM with ECPs. This was discussed on the list before. Because of the lack of core density. I am mixing ECP Basis sets and 6-31g kinds of basis sets. Is it also dangerous to analyse critical points between atoms with core density when there is an atom somewhere else in the molecule with no core density? From my understanding it is not. Am i missing something? Thanks in advance, Stefan. From chemistry-request@server.ccl.net Fri Jun 28 05:25:25 2002 Received: from ribotargets.com ([194.129.39.11]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5S9POW15176 for ; Fri, 28 Jun 2002 05:25:25 -0400 Received: from szilva (helo=localhost) by echo.ribotargets.com with local-esmtp (Exim 3.13 #1) id 17NrwI-0000gS-00; Fri, 28 Jun 2002 09:21:14 +0000 Date: Fri, 28 Jun 2002 09:21:14 +0000 (GMT) From: Szilveszter Juhos To: Joe Leonard cc: chemistry@ccl.net Subject: Re: CCL:C Hacker question In-Reply-To: <5.1.0.14.1.20020627210520.0239a220@pop.theworld.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Thu, 27 Jun 2002, Joe Leonard wrote: > Does anybody know a way to determine the name of the calling > routine from C - Routine A calls Routine B, and B wishes to know > the name of whatever routine called it... If you compile with -g (and no optimization) than debug it? cvd under SGI is a very neat stuff or ddd/gdb under Linux. Even easier check the xref of the sourece tree (ie in [x]emacs or sourcenavigator) or use ctags. M-x speedbar can help a lot in xemacs, ctags-exuberant in vim. Cheers Szilva From chemistry-request@server.ccl.net Fri Jun 28 05:55:29 2002 Received: from simulux.us.es (IDENT:root@[150.214.145.66]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5S9tSW16094 for ; Fri, 28 Jun 2002 05:55:28 -0400 Received: from localhost (rafapa@localhost) by simulux.us.es (8.9.3/8.8.7) with ESMTP id MAA23494; Fri, 28 Jun 2002 12:01:40 +0200 Date: Fri, 28 Jun 2002 12:01:40 +0200 (CEST) From: "Rafael R. Pappalardo" To: Jim Stoner cc: , Subject: Re: CCL:G98 A11.1 and SMP under RedHat 2.4 In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Thu, 27 Jun 2002, Jim Stoner wrote: > Hi all > Thanks for your time. I am having a killer of a time getting G98 to build > with smp support. I am using the current version of PGI F77. The box I am > using is a Dell Precision 530 w/ 1GB of RAM. The system environment is: > > # uname -a > Linux strontium 2.4.9-21smp #1 SMP Thu Jan 17 14:01:48 EST 2002 i686 unknown > > Other applications compile and run under SMP with no problem. However, G98 > kicks back the following in the logfile before it seg/malloc faults and core > dumps from: > > # g98 ./2proctest.com ./ & > [2] 1489 > # shmget failed.: Invalid argument > [2] Exit 1 g98 ./2proctest.com ./ Have you changed the value of shmmax? I need to do something like echo "805306368" >/proc/sys/kernel/shmmax Where 805306368 is the amount of memory in bytes (768Mb in the example). I normally include the line in the /etc/rc.d/rc.local file to be sure is run at every reboot. Hope this helps. Rafael > # > > > *********************************************** > Gaussian 98: x86-Linux-G98RevA.11.1 1-Nov-2001 > 27-Jun-2002 > *********************************************** > %Chk=js3-5.chk > %mem=50MB > %NPROC=2 > Will use up to 2 processors via shared memory. > ------------------------- > #P UHF/6-31G Opt PROP=epr > ------------------------- > 1/18=20,38=1/1,3; > 2/9=110,17=6,18=5,40=1/2; > 3/5=1,6=6,11=2,25=1,30=1/1,2,3; > 4/7=2/1; > 5/5=2,38=4/2; > 6/7=2,8=2,9=2,10=2,17=2,26=4,28=1/1,2; > 7//1,2,3,16; > 1/18=20/3(1); > 99//99; > 2/9=110/2; > 3/5=1,6=6,11=2,25=1,30=1/1,2,3; > 4/5=5,7=2,16=2/1; > 5/5=2,38=4/2; > 7//1,2,3,16; > 1/18=20/3(-5); > 2/9=110/2; > 6/7=2,8=2,9=2,10=2,17=2,19=2,26=4,28=1/1,2; > 99/9=1/99; > Leave Link 1 at Thu Jun 27 20:22:55 2002, MaxMem= 6553600 cpu: > 0.1 > > > If I try to specify 2 processors and worse, if I reduce the memory > allocation even farther so it thinks it has enough, then it starts stating > it is reducing the number of processors and evoking LINDA. Any ideas? > > Thanks again, > Jim > > > PS. Has anyone seen a substantial increases in production by envoking ATLAS > instead of BLAS? Is it worth getting A11.3 for the ATLAS build? All > thoughts would be gratefully appreciated... > > > ===================================== > James W. Stoner > Doctoral Student > University of Denver > Department of Chemistry and Biochemistry > Eaton Electron Paramagnetic Resonance Labs > ===================================== > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > -- Dr. Rafael R. Pappalardo Dept. Quimica Fisica, Fac. de Quimica, Univ. de Sevilla. 41012-Sevilla (Spain) e-mail: rafapa@simulux.us.es From chemistry-request@server.ccl.net Fri Jun 28 05:15:06 2002 Received: from netmaster.kds.com.ua ([194.44.106.42]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5S9F4W14954 for ; Fri, 28 Jun 2002 05:15:05 -0400 Received: from akhavr by netmaster.kds.com.ua with local (Exim 3.22 #1) id 17Nrq3-0003Dk-00; Fri, 28 Jun 2002 12:14:47 +0300 To: Joe Leonard Cc: chemistry@ccl.net Subject: Re: C Hacker question References: <5.1.0.14.1.20020627210520.0239a220@pop.theworld.com> From: Andrey Khavryuchenko Organization: KDS Software Group X-Attribution: AVK Date: 28 Jun 2002 12:14:47 +0300 In-Reply-To: <5.1.0.14.1.20020627210520.0239a220@pop.theworld.com> Message-ID: Lines: 23 User-Agent: Gnus/5.0808 (Gnus v5.8.8) XEmacs/21.4 (Academic Rigor) MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Joe, "JL" == Joe Leonard wrote: JL> Does anybody know a way to determine the name of the calling JL> routine from C - Routine A calls Routine B, and B wishes to know JL> the name of whatever routine called it... JL> If it's a real hack, something which works on Linux (or Linux and SGI) JL> would do the trick. Pointers to these kinds of programmer tricks JL> are appreciated as well! If you're developing such code, you'd better to supply an additional flag, which signifies who called the B routine. Otherwise, you have to build debug version of your program (with symbols) and do hard tricks parsing gdb output. I wonder why would you need that? -- Andrey V Khavryuchenko http://www.kds.com.ua/ Offshore Software Development From chemistry-request@server.ccl.net Fri Jun 28 06:28:58 2002 Received: from mail.fqspl.com.pl ([212.244.147.20]) by server.ccl.net (8.11.6/8.11.0) with SMTP id g5SASvW16964 for ; Fri, 28 Jun 2002 06:28:58 -0400 Received: (qmail 12957 invoked from network); 28 Jun 2002 10:34:51 -0000 Received: from test.fqspl.com.pl (HELO test) (10.10.10.50) by mail.fqspl.com.pl with SMTP; 28 Jun 2002 10:34:51 -0000 Message-ID: <008e01c21e8e$e764afc0$320a0a0a@test> From: "Victor Anisimov" To: , References: Subject: Re: CCL:Was: Semiempirical AIM Date: Fri, 28 Jun 2002 12:31:03 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset="ISO-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.50.4133.2400 X-MIMEOLE: Produced By Microsoft MimeOLE V5.50.4133.2400 Hi Stefan and all CCLers, The problem between nonempirical and semiempirical AIM is slightely in a different phase. There is a very good paper, describing a nature of the NDDO functional: P.L.Cummins, S.J.Titmus, D.Jayatilaka, A.A.Bliznyuk, A.P.Rendell, J.E.Grady Chem.Phys.Letters, 353 (2002) 245-251 With best regards, Victor. Victor Anisimov, FQS Poland, Fujitsu ul. Starowislna 13-15, 31-038 Krakow, Poland Email: victor@fqspl.com.pl Web: http://www.fqspl.com.pl Tel.(+48 12) 429-4345 Fax(+48 12) 429-6124 ----- Original Message ----- From: To: Sent: Friday, June 28, 2002 9:39 AM Subject: CCL:Was: Semiempirical AIM > > Hello, > > the problem of semiempirical AIM seems to be the same as for AIM with > ECPs. This was discussed on the list before. Because of the lack of core > density. > I am mixing ECP Basis sets and 6-31g kinds of basis sets. Is it also > dangerous to analyse critical points between atoms with core density when > there is an atom somewhere else in the molecule with no core density? From > my understanding it is not. > Am i missing something? > > Thanks in advance, > > Stefan. From chemistry-request@server.ccl.net Fri Jun 28 07:27:17 2002 Received: from uscmail.usc.es ([193.144.75.8]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5SBRGW18261 for ; Fri, 28 Jun 2002 07:27:16 -0400 Received: from qfcronos (qfcronos.usc.es [193.144.74.154]) by uscmail.usc.es (8.9.1/8.9.1) with SMTP id NAA26355 for ; Fri, 28 Jun 2002 13:27:06 +0200 (MET DST) Message-ID: <006601c21e96$e8798180$9a4a90c1@usc.es> From: =?iso-8859-1?Q?Jes=FAs_Rodr=EDguez_Otero?= To: Subject: problems with IRC (command downhill) Date: Fri, 28 Jun 2002 13:28:19 +0200 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0063_01C21EA7.AAC4EF80" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2600.0000 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 This is a multi-part message in MIME format. ------=_NextPart_000_0063_01C21EA7.AAC4EF80 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi netters I have a problem with the IRC in Gaussian 98 The manual says that the option DOWNHILL follow the reaction path = downhill from a starting point that is not a transition state. But this = is not correct, because this option is not accepted by the program: *************************************************************************= *************************** TestRt Revision: G98A.9 Please type in the route specification, terminated with a blank line: #n rhf/6-31g irc=3Ddownhill ------------------------- #n rhf/6-31g irc=3Ddownhill ------------------------- QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. #N RHF/6-31G IRC=3DDOWNHILL ' Last state=3D"IRC1" TCursr=3D 9814 LCursr=3D 17 Error termination via Lnk1e *************************************************************************= ************** The option 'downhill' gives a syntax error !! What happens?? Thanks in advance Jesus Rodriguez Otero ------=_NextPart_000_0063_01C21EA7.AAC4EF80 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Hi netters
 
I have a problem with the IRC in = Gaussian=20 98
The manual says that the option = DOWNHILL=20 follow the reaction path downhill from a starting point that is not a = transition=20 state. But this is not correct, because = this option is=20 not accepted by the program:
 
****************************************************************= ************************************
 TestRt Revision:  = G98A.9
 Please=20 type in the route specification, terminated with a blank line:
#n = rhf/6-31g=20 irc=3Ddownhill
 
 -------------------------
 #n=20 rhf/6-31g irc=3Ddownhill
 -------------------------
  = QPERR --- A=20 SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
 #N RHF/6-31G=20 IRC=3DDOWNHILL
          &nbs= p; =20             &= nbsp;    =20 '
 Last state=3D"IRC1"
 TCursr=3D 9814 LCursr=3D =20 17
 Error termination via Lnk1e
****************************************************************= ***********************
 
The option 'downhill' gives a syntax = error=20 !!
 
What happens??
 
Thanks in advance
 
Jesus Rodriguez Otero
 
------=_NextPart_000_0063_01C21EA7.AAC4EF80-- From chemistry-request@server.ccl.net Fri Jun 28 08:33:30 2002 Received: from alchemy.chem.utoronto.ca (IDENT:root@[142.150.224.224]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5SCXTW19807 for ; Fri, 28 Jun 2002 08:33:29 -0400 Received: from localhost (cmatta@localhost) by alchemy.chem.utoronto.ca (8.11.6/8.11.6) with ESMTP id g5SCXUq30781 for ; Fri, 28 Jun 2002 08:33:30 -0400 Date: Fri, 28 Jun 2002 08:33:29 -0400 (EDT) From: "Cherif F. Matta" X-X-Sender: cmatta@alchemy To: CHEMISTRY@ccl.net Subject: Geometry Optimization of a large Silicon cluster Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: 8BIT Dear CCLers, I would very much appreciate any tip from you about the following question: I am trying to optimize quite a large silicon cluster (67 Si atoms + 46 H atoms) representing the Si(111) 7x7 reconstructed surface. I have a lot of problems optimizing it even using the modest RHF/3-21G. What would be the best ECP that I can use to speed up this calculation and bring it to the realm of possibility? Are the geometies optimized using ECPs known to be good and reproduce experimental geometries? Any other suggestions would be highly appreciated. Thank you very much. (I will summarize). Cherif ---------------------------------- Chérif F. Matta, Theoretical/Computational Chemist, Polanyi Research Group, Lash Miller Chemical Laboratories, Chemistry Department, University of Toronto, 80 St. George Street (Room 261), Toronto, Ontario, Canada M5S 1A1. ................................... Telephone: (416) 978 - 3625 Cellular: (416) 996 - 2444 Fax: (416) 978 - 7580 http://chem.utoronto.ca/~cmatta/ ----------------------------------- From chemistry-request@server.ccl.net Fri Jun 28 12:34:20 2002 Received: from master.cluster ([64.162.84.26]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5SGYKW26413 for ; Fri, 28 Jun 2002 12:34:20 -0400 Received: from uclink.berkeley.edu (huskie.cluster [192.168.123.8]) by master.cluster (8.11.6/8.11.6) with ESMTP id g5SGYHG05692; Fri, 28 Jun 2002 09:34:17 -0700 Message-ID: <3D1C8F4F.5050803@uclink.berkeley.edu> Date: Fri, 28 Jun 2002 09:31:11 -0700 From: "David E. Konerding" User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.0; en-US; rv:1.0.0) Gecko/20020530 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry@ccl.net CC: Joe Leonard Subject: Re: CCL:C Hacker question References: <5.1.0.14.1.20020627210520.0239a220@pop.theworld.com> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Andrey Khavryuchenko wrote: > Joe, > > "JL" == Joe Leonard wrote: > > JL> Does anybody know a way to determine the name of the calling > JL> routine from C - Routine A calls Routine B, and B wishes to know > JL> the name of whatever routine called it... > > JL> If it's a real hack, something which works on Linux (or Linux and SGI) > JL> would do the trick. Pointers to these kinds of programmer tricks > JL> are appreciated as well! > > If you're developing such code, you'd better to supply an additional flag, > which signifies who called the B routine. > > Otherwise, you have to build debug version of your program (with symbols) > and do hard tricks parsing gdb output. Actually, it could be solved by compiling with symbols, and then doing stack unwinding to find the function pointer of the calling function and then looking that up in the symbol table. It could by done, but it's not really appropriate for this list (Usenet has groups full of people who can answer this) nor is it an advisable technique. Dave From chemistry-request@server.ccl.net Fri Jun 28 10:03:06 2002 Received: from mailpost.aist-nara.ac.jp ([163.221.80.20]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5SE34W22803 for ; Fri, 28 Jun 2002 10:03:05 -0400 Received: from mailgate.aist-nara.ac.jp (mailgate.aist-nara.ac.jp [163.221.80.65]) by mailpost.aist-nara.ac.jp (Postfix) with SMTP id 6DD5C17FA48 for ; Fri, 28 Jun 2002 23:03:01 +0900 (JST) Received: (qmail 22788 invoked from network); 28 Jun 2002 23:03:01 +0900 Received: from tungstenn.aist-nara.ac.jp (HELO tungstenn) (163.221.138.74) by ismailgate.aist-nara.ac.jp with SMTP; 28 Jun 2002 23:03:01 +0900 Message-ID: <003a01c21ead$6296a310$4a8adda3@tungstenn> From: "dakshanamurthy sivanesan" To: Subject: Grasp-Question Date: Fri, 28 Jun 2002 23:09:15 +0900 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0037_01C21EF8.D2771F20" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2600.0000 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 This is a multi-part message in MIME format. ------=_NextPart_000_0037_01C21EF8.D2771F20 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear CCLers: I have some questions: First of all I describe Aim of my ElectroStatic Potential surface = calculation using GRASP: 1. I want to generate ESP surface around each protein in the PDB without = a ligand (i.e. HET. atoms) inside the binding site. 2. Then keep (show) the ligands (several) in the active site and look = for the ESP surface patterns to see any new signatures. 3. How can I show the ligands inside the active site in presence of ESP = surface=20 at this point I have questions: 1. First of all Whether Do I need to include hydrogens in the PDB = structure. 2. If I don,t what should be done for assigning charges. 3. Or If I want to use hydrogens then what should I do for charges. Thanks in advance, Sincerely, D.Sivanesan D. Sivanesan, Ph.D., Post doctoral Associate Fellow, Graduate School of Information Science, Nara Institute of Science & Technology, 8916-5, Takayama, Ikoma, Nara 630-01 JAPAN E-mail: siva@is.aist-nara.ac.jp Tel: 0743-72-5611 ------=_NextPart_000_0037_01C21EF8.D2771F20 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Dear CCLers:

I have some questions:

First of all I = describe=20 Aim of my ElectroStatic Potential surface calculation using = GRASP:

1. I=20 want to generate ESP surface around each protein in the PDB without a = ligand=20 (i.e. HET. atoms) inside the binding site.
2. Then keep (show) the = ligands=20 (several)  in the active site and look for the ESP surface patterns = to see=20 any new signatures.
3. How can I show the ligands inside the active = site in=20 presence of ESP surface

at this point I have = questions:

1. First=20 of all Whether Do I need to include hydrogens in the PDB = structure.
2. If I=20 don,t what should be done for assigning charges.
3. Or If I want to = use=20 hydrogens then what should I do for charges.

Thanks in=20 advance,

Sincerely,
D.Sivanesan
D. Sivanesan, Ph.D.,
Post doctoral Associate Fellow,
Graduate = School=20 of Information Science,
Nara Institute of Science &=20 Technology,
8916-5, Takayama,
Ikoma, Nara 630-01 JAPAN
E-mail: = siva@is.aist-nara.ac.jp
Te= l:=20 0743-72-5611
------=_NextPart_000_0037_01C21EF8.D2771F20-- From chemistry-request@server.ccl.net Fri Jun 28 16:34:10 2002 Received: from sundown.cs.cornell.edu ([128.84.96.20]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5SKYAW02394 for ; Fri, 28 Jun 2002 16:34:10 -0400 Received: from fafe.cs.cornell.edu (fafe.cs.cornell.edu [128.84.97.167]) by sundown.cs.cornell.edu (8.11.3/8.11.3/R-3.7) with ESMTP id g5SKYA105391 for ; Fri, 28 Jun 2002 16:34:10 -0400 (EDT) Date: Fri, 28 Jun 2002 16:34:08 -0400 (EDT) From: avijit ghosh To: chemistry@ccl.net Subject: Re: C Hacker Question Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII >Folks, >Does anybody know a way to determine the name of the calling >routine from C - Routine A calls Routine B, and B wishes to know >the name of whatever routine called it... >If it's a real hack, something which works on Linux (or Linux and SGI) >would do the trick. Pointers to these kinds of programmer tricks >are appreciated as well! This is a bit off the top of my head but what I would do is write a simple perl script (or perhaps you could just do it w/ defines) that appends to all your C calls __FUNCTION__ as the last argument. This is a gnu extension that tells you the name of the current routine. The same perl script would also append to each function declaration a char *whoCalledMe). To make things easy use a define that does nothing for your perl script to snag the subroutines you want appended in this manner . i.e DEBUGME(myfunction)(double x,double y, double z); (so parse twice once for subroutine names and then for calls). Of course now your code is dependent on a perl script (never good!) but hopefully this is for debugging so you it'll only be embarrassing for yourself :) You could probably make a few defines so as to leave the code in but compiled out at will as well as for printing the caller subroutine name trivially. There is probably an equivalent trick for fortran (or any other language) that could be worked out. Best regards, -avi