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<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>Hi Mehdi,Thanks for your reply. You're
right, the error about the -lgloble is caused by the wrong location of the
globle arrays lib.<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>Then I take your advice to compile the
serial vertion of the molpro firse. But there is some error too.<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>I comfigured the BLAS as follows : <o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:7.5pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>-L /share/apps/molpro/mkl/lib/32 -I
/share/apps/molpro/mkl/include -lmkl_solver -lmkl_lapack -lmkl_ia32 -lguide
-lpthread<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:7.5pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>Then I got the error like this :<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:7.5pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>linking /share/apps/molpro/molpro2002.6/bin/molpros_2002_6_i4_p4.exe<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>link failed<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>/share/apps/molpro/ifc90/bin/ifc -pc 64
-auto -autodouble -Vaxlib -I/share/apps/molpro/mkl/include -w -O3
-Wl,-rpath,/share/apps/molpro/ifc90/lib -openmp -o
/share/apps/molpro/molpro2002.6/bin/molpros_2002_6_i4_p4.exe molver.o molpro.o
-L/share/apps/molpro/molpro2002.6/lib -lmolpro -lgks0 -L
/share/apps/molpro/mkl/lib/32 -lmkl_solver -lmkl_lapack -lmkl_ia32 -lguide
-lpthread -lz<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>/share/apps/molpro/mkl/lib/32/libmkl_ia32.a(_dlarfx_fb.o):
In function `dlarfx_':<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><b><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt;font-weight:bold'>_dlarfx_iface.c:(.text+0x0):
multiple definition of `dlarfx_'<o:p></o:p></span></font></b></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>/share/apps/molpro/molpro2002.6/lib/libmolpro.a(lapack2.o):lapack2.f:(.text+0xbb14):
first defined here<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>ld: Warning: size of symbol `dlarfx_'
changed from <st1:chmetcnv TCSC="0" NumberType="1" Negative="False"
HasSpace="True" SourceValue="12" UnitName="in" w:st="on">12 in</st1:chmetcnv>
/share/apps/molpro/molpro2002.6/lib/libmolpro.a(lapack2.o) to <st1:chmetcnv
TCSC="0" NumberType="1" Negative="False" HasSpace="True" SourceValue="298"
UnitName="in" w:st="on">298 in</st1:chmetcnv>
/share/apps/molpro/mkl/lib/32/libmkl_ia32.a(_dlarfx_fb.o)<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>make: *** [bin/molpros_2002_6_i4_p4.exe]
Error 1<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:7.5pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>How can the </span></font><font
face="Courier New"><span lang=EN-US style='font-family:"Courier New"'>‘</span></font><span
lang=EN-US>dlarfx</span><font face="Courier New"><span lang=EN-US
style='font-family:"Courier New"'>’</span></font><span lang=EN-US> be defined multiple
times? I tried to remove the libs ( mkl_solver, mkl_lapack, mkl_ia32, guide)
one by one, the result shows that they are all necessary. </span><font
face=Wingdings><span lang=EN-US style='font-family:Wingdings'>L</span></font><span
lang=EN-US> Which part goes wrong?<o:p></o:p></span></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:7.5pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>Thanks very much.<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:7.5pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>Yuxin Zhuang<o:p></o:p></span></font></p>
<p class=MsoPlainText style='layout-grid-mode:char'><font size=1 face=宋体><span
lang=EN-US style='font-size:9.0pt'>CNIC, CAS<o:p></o:p></span></font></p>
<p class=MsoPlainText><font size=1 face=宋体><span lang=EN-US style='font-size:
9.0pt'><o:p> </o:p></span></font></p>
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