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Subject: RE: Re: [NWCHEM] Ask for libimf.so on slave nodes
Date: Mon, 6 Aug 2007 10:33:54 -0700
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Thread-Topic: Re: [NWCHEM] Ask for libimf.so on slave nodes
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From: "DeJong, Wibe A" <Wibe.DeJong@pnl.gov>
To: <wanglm@scut.edu.cn>, "Wang, Dunyou" <dunyou.wang@pnl.gov>
Cc: <nwchem-users@emsl.pnl.gov>
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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 <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 <dunyou.wang@pnl.gov>
=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




________________________________


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<BODY>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2>Liming,</FONT></SPAN></DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2></FONT></SPAN>&nbsp;</DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2>NWChem generally gets build dynamically linking =
to system,=20
math, and compiler libraries. You have two options:</FONT></SPAN></DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2></FONT></SPAN>&nbsp;</DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2>1. Build NWChem statically linked, in which =
case you should=20
be able to run it on the nodes without the necessary libraries.=20
</FONT></SPAN></DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2></FONT></SPAN>&nbsp;</DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2>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.</FONT></SPAN></DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2></FONT></SPAN>&nbsp;</DIV>
<DIV dir=3Dltr align=3Dleft><SPAN class=3D084053017-06082007><FONT =
face=3DArial=20
color=3D#0000ff size=3D2>Thanks,</FONT></SPAN></DIV><!-- Converted from =
text/rtf format -->
<P><B><SPAN lang=3Den-us><FONT face=3DArial color=3D#ff0000>Bert de =
Jong, Ph.D.&nbsp;=20
Chief Scientist</FONT></SPAN></B><SPAN lang=3Den-us></SPAN> <BR><SPAN=20
lang=3Den-us><FONT face=3DArial size=3D2>Technical Group =
Lead</FONT></SPAN> <BR><SPAN=20
lang=3Den-us><FONT face=3DArial size=3D2>MSCF</FONT> <FONT face=3DArial =
size=3D2>High=20
Performance Software Development</FONT></SPAN> <BR><SPAN =
lang=3Den-us><FONT=20
face=3DArial size=3D2>Environmental Molecular Science =
Laboratory</FONT></SPAN>=20
<BR><SPAN lang=3Den-us><FONT face=3DArial size=3D2>Pacific Northwest =
National=20
Laboratory</FONT></SPAN> <BR><SPAN lang=3Den-us><FONT face=3DArial =
size=3D2>P.O. Box=20
999, Mail Stop K8-91</FONT></SPAN> <BR><SPAN lang=3Den-us><FONT =
face=3DArial=20
size=3D2>Richland, WA 99352</FONT></SPAN> </P>
<P><SPAN lang=3Den-us><FONT face=3DArial size=3D2>Phone: (509) 376-5290 =
Email:=20
bert.dejong@pnl.gov</FONT></SPAN> <BR><SPAN lang=3Den-us><FONT =
face=3DArial=20
size=3D2>Fax: (509) 376-0420&nbsp;&nbsp;&nbsp;&nbsp; Room: EMSL =
1371</FONT></SPAN>=20
<BR><SPAN lang=3Den-us><FONT face=3DArial size=3D2>Web: <A=20
href=3D"http://mscf.emsl.pnl.gov/">http://mscf.emsl.pnl.gov</A></FONT></S=
PAN> </P>
<DIV>&nbsp;</DIV><BR>
<DIV class=3DOutlookMessageHeader lang=3Den-us dir=3Dltr align=3Dleft>
<HR tabIndex=3D-1>
<FONT face=3DTahoma size=3D2><B>From:</B> =
owner-nwchem-developers@emsl.pnl.gov=20
[mailto:owner-nwchem-developers@emsl.pnl.gov] <B>On Behalf Of=20
</B>wanglm@scut.edu.cn<BR><B>Sent:</B> Monday, August 06, 2007 10:21=20
AM<BR><B>To:</B> Wang, Dunyou<BR><B>Cc:</B>=20
nwchem-users@emsl.pnl.gov<BR><B>Subject:</B> Re: Re: [NWCHEM] Ask for =
libimf.so=20
on slave nodes<BR></FONT><BR></DIV>
<DIV></DIV>Dear Dunyou:<BR>The environmental setting on&nbsp;slave=20
nodes&nbsp;are the same as on the master node.&nbsp;Unfortunately, the =
system=20
sdministrator does NOT install Intel Compiler on slave nodes. My =
understanding=20
is:&nbsp;Why does the excutable binary code built on the master node ask =
for the=20
library file again? Shouldn't it be =
portable?<BR>Cheers<BR>Liming<BR><BR><BR>
<HR>
<STRONG>=D6=F7=A1=A1=CC=E2=A3=BA</STRONG>Re: [NWCHEM] Ask for libimf.so =
on slave=20
nodes<BR><STRONG>=B7=A2=BC=FE=C8=CB=A3=BA</STRONG>Dunyou Wang=20
&lt;dunyou.wang@pnl.gov&gt;<BR><STRONG>=CA=D5=BC=FE=C8=CB=A3=BA</STRONG>w=
anglm@scut.edu.cn<BR><STRONG>=B3=AD=A1=A1=CB=CD=A3=BA</STRONG>nwchem-user=
s@emsl.pnl.gov<BR><STRONG>=BD=D3=CA=D5=CA=B1=BC=E4=A3=BA</STRONG>2007/08/=
06=20
23:53:55<BR><BR>Dear&nbsp;Liming,<BR><BR>Please&nbsp;make&nbsp;sure&nbsp;=
your&nbsp;environmental&nbsp;setting&nbsp;of&nbsp;your&nbsp;slave&nbsp;no=
des&nbsp;are&nbsp;the<BR>same&nbsp;on&nbsp;the&nbsp;master&nbsp;node.&nbs=
p;Please&nbsp;make&nbsp;sure&nbsp;your&nbsp;Intel&nbsp;lib&nbsp;path&nbsp=
;presented<BR>in&nbsp;the&nbsp;LD_LIBRARY_PATH&nbsp;on&nbsp;your&nbsp;sla=
ve&nbsp;nodes.<BR><BR>Hope&nbsp;this&nbsp;helps<BR>Dunyou<BR><BR><BR>wang=
lm@scut.edu.cn&nbsp;wrote:<BR>&gt;&nbsp;Dear&nbsp;All:<BR>&gt;<BR>&gt;&nb=
sp;I&nbsp;have&nbsp;a&nbsp;question&nbsp;on&nbsp;installing&nbsp;version&=
nbsp;5.<BR>&gt;<BR>&gt;&nbsp;Following&nbsp;the&nbsp;instructions&nbsp;fr=
om&nbsp;file&nbsp;"INSTALL",&nbsp;I&nbsp;have&nbsp;managed&nbsp;to&nbsp;g=
o<BR>&gt;&nbsp;through&nbsp;steps&nbsp;1-7&nbsp;and&nbsp;produced&nbsp;th=
e&nbsp;excutable&nbsp;file.&nbsp;I&nbsp;have&nbsp;also<BR>&gt;&nbsp;succe=
ssed&nbsp;in&nbsp;running&nbsp;a&nbsp;simple&nbsp;SCF&nbsp;calculation.&n=
bsp;All&nbsp;these&nbsp;are&nbsp;done&nbsp;on<BR>&gt;&nbsp;the&nbsp;maste=
r&nbsp;node&nbsp;of&nbsp;our&nbsp;ia64&nbsp;cluster&nbsp;running&nbsp;ROC=
KS&nbsp;LINUX&nbsp;Server<BR>&gt;&nbsp;(equivalent&nbsp;to&nbsp;Redhat&nb=
sp;Linux&nbsp;AS&nbsp;3).&nbsp;I&nbsp;am&nbsp;using&nbsp;Intel&nbsp;9&nbs=
p;compiler.<BR>&gt;<BR>&gt;&nbsp;My&nbsp;problem&nbsp;is&nbsp;that&nbsp;I=
&nbsp;can&nbsp;run&nbsp;NWChem&nbsp;on&nbsp;the&nbsp;master&nbsp;node&nbs=
p;only.&nbsp;When&nbsp;I<BR>&gt;&nbsp;tried&nbsp;to&nbsp;run&nbsp;it&nbsp=
;on&nbsp;slave&nbsp;nodes&nbsp;(ssh),&nbsp;I&nbsp;got&nbsp;an&nbsp;error&=
nbsp;message&nbsp;asking<BR>&gt;&nbsp;for&nbsp;"libimf.so".&nbsp;This&nbs=
p;is&nbsp;likely&nbsp;a&nbsp;lib&nbsp;file&nbsp;from&nbsp;Intel&nbsp;Comp=
iler,&nbsp;which<BR>&gt;&nbsp;is&nbsp;not&nbsp;installed&nbsp;on&nbsp;sla=
ve&nbsp;nodes.&nbsp;BTW,&nbsp;nwchem4.7,&nbsp;installed&nbsp;from&nbsp;bi=
nary<BR>&gt;&nbsp;download,&nbsp;runs&nbsp;well&nbsp;on&nbsp;the&nbsp;sys=
tem<BR>&gt;<BR>&gt;&nbsp;Could&nbsp;anybody&nbsp;tell&nbsp;me&nbsp;any&nb=
sp;further&nbsp;steps&nbsp;I&nbsp;should&nbsp;make!&nbsp;I&nbsp;was&nbsp;=
stucked<BR>&gt;&nbsp;on&nbsp;Step&nbsp;8.<BR>&gt;<BR>&gt;&nbsp;Thanks&nbs=
p;in&nbsp;advance!<BR>&gt;<BR>&gt;&nbsp;Liming&nbsp;<BR><BR><BR><BR>
<HR>
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