From owner-nwchem-users@emsl.pnl.gov Mon Aug 6 10:33:57 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id l76HXumr016492 for ; Mon, 6 Aug 2007 10:33:57 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l76HXu9c016491 for nwchem-users-outgoing-0915; Mon, 6 Aug 2007 10:33:56 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Possible-Spoof: True X-IronPort-AV: E=Sophos;i="4.19,225,1183359600"; d="scan'208,217";a="42442338" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C7D84F.F58486F2" Subject: RE: Re: [NWCHEM] Ask for libimf.so on slave nodes Date: Mon, 6 Aug 2007 10:33:54 -0700 Message-ID: <1692FA5FE0EBFD40B2B4097DAFEA887C02316C0A@EMAIL02.pnl.gov> In-Reply-To: <2067548.1221186420866800.Pineapple.pineapple1@webmail2007> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: Re: [NWCHEM] Ask for libimf.so on slave nodes Thread-Index: AcfYT01PAqt9KUW5RwKy2dqfk2SYowAAB/2Q References: <46B7443C.6040009@pnl.gov> <2067548.1221186420866800.Pineapple.pineapple1@webmail2007> From: "DeJong, Wibe A" To: , "Wang, Dunyou" Cc: X-OriginalArrivalTime: 06 Aug 2007 17:33:54.0238 (UTC) FILETIME=[F5DEBDE0:01C7D84F] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. ------_=_NextPart_001_01C7D84F.F58486F2 Content-Type: text/plain; charset="GB2312" Content-Transfer-Encoding: quoted-printable Liming, =20 NWChem generally gets build dynamically linking to system, math, and = compiler libraries. You have two options: =20 1. Build NWChem statically linked, in which case you should be able to = run it on the nodes without the necessary libraries.=20 =20 2. If all nodes can see a globally shared filesystem, you could put a = copy of the missing libraries there and add it to your LD_LIBRARY_PATH. =20 Thanks, Bert de Jong, Ph.D. Chief Scientist=20 Technical Group Lead=20 MSCF High Performance Software Development=20 Environmental Molecular Science Laboratory=20 Pacific Northwest National Laboratory=20 P.O. Box 999, Mail Stop K8-91=20 Richland, WA 99352=20 Phone: (509) 376-5290 Email: bert.dejong@pnl.gov=20 Fax: (509) 376-0420 Room: EMSL 1371=20 Web: http://mscf.emsl.pnl.gov =20 =20 ________________________________ From: owner-nwchem-developers@emsl.pnl.gov = [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of = wanglm@scut.edu.cn Sent: Monday, August 06, 2007 10:21 AM To: Wang, Dunyou Cc: nwchem-users@emsl.pnl.gov Subject: Re: Re: [NWCHEM] Ask for libimf.so on slave nodes Dear Dunyou: The environmental setting on slave nodes are the same as on the master = node. Unfortunately, the system sdministrator does NOT install Intel = Compiler on slave nodes. My understanding is: Why does the excutable = binary code built on the master node ask for the library file again? = Shouldn't it be portable? Cheers Liming ________________________________ =D6=F7=A1=A1=CC=E2=A3=BARe: [NWCHEM] Ask for libimf.so on slave nodes =B7=A2=BC=FE=C8=CB=A3=BADunyou Wang =CA=D5=BC=FE=C8=CB=A3=BAwanglm@scut.edu.cn =B3=AD=A1=A1=CB=CD=A3=BAnwchem-users@emsl.pnl.gov =BD=D3=CA=D5=CA=B1=BC=E4=A3=BA2007/08/06 23:53:55 Dear Liming, Please make sure your environmental setting of your slave nodes are the same on the master node. Please make sure your Intel lib path presented in the LD_LIBRARY_PATH on your slave nodes. Hope this helps Dunyou wanglm@scut.edu.cn wrote: > Dear All: > > I have a question on installing version 5. > > Following the instructions from file "INSTALL", I have managed to go > through steps 1-7 and produced the excutable file. I have also > successed in running a simple SCF calculation. All these are done on > the master node of our ia64 cluster running ROCKS LINUX Server > (equivalent to Redhat Linux AS 3). I am using Intel 9 compiler. > > My problem is that I can run NWChem on the master node only. When I > tried to run it on slave nodes (ssh), I got an error message asking > for "libimf.so". This is likely a lib file from Intel Compiler, which > is not installed on slave nodes. BTW, nwchem4.7, installed from binary > download, runs well on the system > > Could anybody tell me any further steps I should make! I was stucked > on Step 8. > > Thanks in advance! > > Liming=20 ________________________________ ------_=_NextPart_001_01C7D84F.F58486F2 Content-Type: text/html; charset="GB2312" Content-Transfer-Encoding: quoted-printable
Liming,
 
NWChem generally gets build dynamically linking = to system,=20 math, and compiler libraries. You have two options:
 
1. Build NWChem statically linked, in which = case you should=20 be able to run it on the nodes without the necessary libraries.=20
 
2. If all nodes can see a globally shared = filesystem, you=20 could put a copy of the missing libraries there and add it to your=20 LD_LIBRARY_PATH.
 
Thanks,

Bert de = Jong, Ph.D. =20 Chief Scientist
Technical Group = Lead
MSCF High=20 Performance Software Development
Environmental Molecular Science = Laboratory=20
Pacific Northwest = National=20 Laboratory
P.O. Box=20 999, Mail Stop K8-91
Richland, WA 99352

Phone: (509) 376-5290 = Email:=20 bert.dejong@pnl.gov
Fax: (509) 376-0420     Room: EMSL = 1371=20
Web: http://mscf.emsl.pnl.gov

 

From: = owner-nwchem-developers@emsl.pnl.gov=20 [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of=20 wanglm@scut.edu.cn
Sent: Monday, August 06, 2007 10:21=20 AM
To: Wang, Dunyou
Cc:=20 nwchem-users@emsl.pnl.gov
Subject: Re: Re: [NWCHEM] Ask for = libimf.so=20 on slave nodes

Dear Dunyou:
The environmental setting on slave=20 nodes are the same as on the master node. Unfortunately, the = system=20 sdministrator does NOT install Intel Compiler on slave nodes. My = understanding=20 is: Why does the excutable binary code built on the master node ask = for the=20 library file again? Shouldn't it be = portable?
Cheers
Liming


=D6=F7=A1=A1=CC=E2=A3=BARe: [NWCHEM] Ask for libimf.so = on slave=20 nodes
=B7=A2=BC=FE=C8=CB=A3=BADunyou Wang=20 <dunyou.wang@pnl.gov>
=CA=D5=BC=FE=C8=CB=A3=BAw= anglm@scut.edu.cn
=B3=AD=A1=A1=CB=CD=A3=BAnwchem-user= s@emsl.pnl.gov
=BD=D3=CA=D5=CA=B1=BC=E4=A3=BA2007/08/= 06=20 23:53:55

Dear Liming,

Please make sure = your environmental setting of your slave no= des are the
same on the master node.&nbs= p;Please make sure your Intel lib path = ;presented
in the LD_LIBRARY_PATH on your sla= ve nodes.

Hope this helps
Dunyou


wang= lm@scut.edu.cn wrote:
> Dear All:
>
>&nb= sp;I have a question on installing version&= nbsp;5.
>
> Following the instructions fr= om file "INSTALL", I have managed to g= o
> through steps 1-7 and produced th= e excutable file. I have also
> succe= ssed in running a simple SCF calculation.&n= bsp;All these are done on
> the maste= r node of our ia64 cluster running ROC= KS LINUX Server
> (equivalent to Redhat&nb= sp;Linux AS 3). I am using Intel 9&nbs= p;compiler.
>
> My problem is that I=  can run NWChem on the master node&nbs= p;only. When I
> tried to run it = ;on slave nodes (ssh), I got an error&= nbsp;message asking
> for "libimf.so". This&nbs= p;is likely a lib file from Intel Comp= iler, which
> is not installed on sla= ve nodes. BTW, nwchem4.7, installed from bi= nary
> download, runs well on the sys= tem
>
> Could anybody tell me any&nb= sp;further steps I should make! I was = stucked
> on Step 8.
>
> Thanks&nbs= p;in advance!
>
> Liming 



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