<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"><HTML DIR=ltr><HEAD><META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=iso-8859-1"></HEAD><BODY><DIV><FONT face='Arial' color=#000000 size=2>I am trying to build a few applications using
mpich2-1.0.4p1 on an</FONT></DIV>
<DIV><FONT face=Arial size=2>Intel Xeon EM64T cluster running Fedora core 3 w/
Intel 10.1 compilers.</FONT></DIV>
<DIV><FONT face=Arial size=2>The reason I'm using mpich 1.0.4 is because
something in mpich 1.0.6</FONT></DIV>
<DIV><FONT face=Arial size=2>broke tight integration in SGE 5.3 that's running
on the cluster. I think it</FONT></DIV>
<DIV><FONT face=Arial size=2>was suggested that one build mpich with a
configuration as follows:</FONT></DIV>
<DIV><FONT face=Arial size=2>./configure --prefix=/opt/mpich2-smpd
--with-pm=smpd --with-pmi=smpd --with-device=c3:sock</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>This produces an mpich2 install that allow me to
build the Amber MD package and runs well</FONT></DIV>
<DIV><FONT face=Arial size=2>in the SGE 5.3 environment with something
like:</FONT></DIV>
<DIV><FONT face=Arial size=2>mpiexec -nopm -rsh -n 8 -machinefile bla bla
bla......</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>However, when building NWchem 5.1, another MD
package, I run into errors during the</FONT></DIV>
<DIV><FONT face=Arial size=2>build as follows:</FONT></DIV>
<DIV>ifort -i8 -align -w -g -vec_report3 -O2 -g
-L/users1/ndrl/nwchem/nwchem-5.1_smpd/lib/LINUX64
-L/users1/ndrl/nwchem/nwchem-5.1_smpd/src/tools/lib/LINUX64 -o
/users1/ndrl/nwchem/nwchem-5.1_smpd/bin/LINUX64/nwchem nwchem.o stubs.o
-lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -ldftgrad
-lnwdft -lgradients -lcphf -lesp -lddscf -lguess -lhessian -lvib -lnwcutil
-lrimp2 -lproperty -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband
-lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm
-lqmd -letrans -lpspw -ltddft -ltce -lbq -lcons -lperfm -lneb -lnwcutil -lpario
-lglobal -lma -lpeigs -lperfm -lcons -lbq -lnwcutil -L/usr/lib -lmkl_intel_ilp64
-lmkl_intel_thread -lmkl_core -lguide -lpthread -llapack -lblas
-larmci -L/opt/mpich2_smpd_static/lib -ltcgmsg-mpi -lfmpich -lmpich
-lpmpich -lmpi -lpthread
<BR>/opt/mpich2_smpd_static/lib/libmpich.a(smpd_hash.o)(.text+0x54): In function
`smpd_hash':<BR>: undefined reference to `MD5'<BR>make: *** [all] Error 1</DIV>
<DIV> </DIV>
<DIV>There was a dated thread on the Sun Grid web page, </DIV>
<DIV><A
href="http://gridengine.sunsource.net/servlets/ReadMsg?list=users&msgNo=12875">http://gridengine.sunsource.net/servlets/ReadMsg?list=users&msgNo=12875</A></DIV>
<DIV> </DIV>
<DIV>So... I tried building mpich2 1.0.4 with static environment and get the
same error.</DIV>
<DIV> </DIV>
<DIV>Any idea's or suggestions would be greatly welcome.</DIV>
<DIV> </DIV>
<DIV> --marc</DIV>
<DIV><BR> </DIV></BODY></HTML>