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<DIV><FONT face=Arial size=2>Dear Molpro users,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I tried to build parallel molpro 2002.6 executable,
but compilation was failed at linking.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>My system: Dual Xeon workstation under redhat
8.0 (2.4.18-14bigmem), Intel fortran compiler 8.1, Global Arrays 3.3.1. I run
configuration script like this: </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>[root@chedaac molpro2002.6]# ./configure
-mpp</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Building program for processor type=p4<BR>Program
may not run on amd64/athlon/p3 systems<BR>You can choose another processor type
using the amd64|athlon|p3 options</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Program will be built for parallel
execution<BR>Machine architecture is unix unix-i4 unix-linux<BR>Additional
compilation pre-processor flags: mpp eaf</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>File size greater than 2GB allowed</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV><FONT face=Arial size=2>
<DIV><BR>Using Intel Fortran compiler (ifc for ia32) version 8</DIV>
<DIV> </DIV>
<DIV>searching for blas libraries...</DIV>
<DIV> </DIV>
<DIV>blaslibold=<BR>plese select blas library from above list<BR>(default
):</DIV>
<DIV> </DIV>
<DIV>lib=</DIV>
<DIV> </DIV>
<DIV>searching for lapack library...</DIV>
<DIV> </DIV>
<DIV>plese select lapack library from above list<BR>(default ):</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Do wish to use tcgmsg, mpi, or myrinet?
[tcgmsg]</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Please give the name of the directory containing
GA, MA libraries:<BR>(default ):<BR>/tmp/g/lib/LINUX<BR>If you want to use a
special wrapper for parallel job startup<BR>please specify. (default
/tmp/g/tcgmsg/ipcv4.0/parallel):</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Please enter your licence key<BR>(default
):<BR>Enter
max number of atoms [ 200]:<BR>Enter max number of valence orbitals [
300]:<BR>Enter max number of basis functions [2000]:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>If you wish to use a system BLAS library, please
give the maximum<BR>level (0, 1, 2, 3) of BLAS to be supplied by the
system<BR>(default 0):</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Installed binaries directory
[/usr/local/bin]<BR>/usr/local/molpro2002.6/bin<BR>Installed auxiliary directory
[/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6]<BR>/usr/local/molpro2002.6/lib<BR>parse-i686-pc-linux-gnu-i4.o.gz
is your object.<BR>CONFIG file created; please inspect and edit if necessary
before proceeding</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Then compilation was Ok, but linking was
failed with error message:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>linking
/usr/local/molpro2002.6/bin/molprop_2002_6_i4_tcgmsg.exe<BR>link
failed<BR>/opt/intel_fc_80/bin/ifc -pc 64 -auto -autodouble -Vaxlib -w -O3
-Wl,-rpath,/opz<BR>ifc: warning: The Intel Fortran driver is now named
ifort. You can suppress th'<BR>/tmp/g/lib/LINUX/libtcgmsg.a(pbeginf.o): In
function `pbeginf_':<BR>pbeginf.o(.text+0x8): undefined reference to
`f__xargv'<BR>pbeginf.o(.text+0xe): undefined reference to
`f__xargc'<BR>/tmp/g/lib/LINUX/libpario.a(eaf.o): In function
`eaf_print_stats':<BR>eaf.o(.text+0x256): undefined reference to
`__fixunsdfdi'<BR>make: *** [bin/molprop_2002_6_i4_tcgmsg.exe] Error
1</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I expect that something may be wrong with my
Global Arrays libraries, but they seem to be installed properly.
</FONT></DIV>
<DIV><FONT face=Arial size=2>If you have any suggestion in solving this problem,
your help will be greatly appreciated.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks. </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Vadim V.Kislov<BR>Postdoctoral Research
Associate,<BR>Department of Chemistry and Biochemistry,<BR>Florida International
University<BR>11200 SW 8th Street, Miami, FL 33199<BR>e-mail: <A
href="mailto:kvv_bne@mail.ru">kvv_bne@mail.ru</A><BR>tel:
305-348-1945</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV></FONT></DIV>
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