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<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Hello everyone:<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>I’m trying to install molpro2002.6 on a cluster
with P4 CPUs. The operating system is Enterprise Redhat linux 4 with Intel 10.0
Fortran compiler and mkl 9.1 installed. <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>The
molpro is comfigured in this way : <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=宋体><span lang=EN-US style='font-size:9.0pt;
font-family:SimSun'>./configure -i4 -largefiles -mpp -L
/share/apps/molpro/mkl/lib/32<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>And
the IA32ROOT is properly set..<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>In
the process of compilation, I encountered the linking error as follows:<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>…..<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>link
date: 10 Jul 2007 23:17:06 ; version: 2002.6<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>Installed
patches: absoft_opt1 absoft_quad acml alaska_ff altix_reshape amd64_ifc_i8_blas<st1:chmetcnv
TCSC="0" NumberType="1" Negative="False" HasSpace="False" SourceValue="4"
UnitName="a" w:st="on">4a</st1:chmetcnv> ampr blas_mkl_ia32 bug594 cardiff_doc
cardiff_driver cidps_orthp ciexit cioccsym citation compress config_pathscale
configure_xeon coreocc corlsi darwin_conf defbas_update depositpatch
dft_orbital_hi displace4 doc_module1 doc_module2 dplace enest_dummy
erel_variables fcibig fix956b fix_kraft1 fujitsu_conf fujitsu-ssl2 ga_conflict2
hpux1131 ia64_efc81 ia64root_check ia64_static ifc_bug intel9b kext_mpp
lapack_init lapi_configure largefiles lsint lvec merge_orbdom mkl60 mkl61
mkl721cluster modelopt molden_orbital_normalization mpp_string mpputil
multi_dens mxm_fujitsu mxmsu natorb nec_parse opteron2 opteron6 opteron_conf
opteron_parse2 optg_inactive orbdom_format parse_i686_i4_compat parse_ia64
parse_x86_64_i4 patcher_printf pathf90 pbs_nodelist pgf_c2h4_ksfreq
pname_intsize posinp project_dav prop_qm pseudo_libmol2 readop_multipole_nps
riblcc_inout rpm_key scfocc scfocc2 sse2 sun_forte8 sx_updates
tran3_core_restart uncompress updui_trap_overflow void_dlnu wrapper_makefile
xlf<st1:chmetcnv TCSC="0" NumberType="1" Negative="False" HasSpace="False"
SourceValue="9" UnitName="a" w:st="on">9a</st1:chmetcnv> xlf_ndi2 <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>molver.f:
compiling ... done<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>linking
/share/apps/molpro/molpro2002.6/bin/molprop_2002_6_i4_p4_mpi.exe<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>link
failed<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>/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/molprop_2002_6_i4_p4_mpi.exe molver.o
molpro.o -L/share/apps/molpro/molpro2002.6/lib -lmolpro
-L/share/apps/molpro/molpro2002.6/lib -lglobal -lgks0 -L
/share/apps/molpro/mkl/lib/32 -lmkl_solver -lmkl_lapack -lmkl_ia32 -lguild
-lpthread -L/share/apps/molpro/molpro2002.6/lib -lglobal -lz<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><b><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial;
font-weight:bold'>ld: cannot find -lglobal<o:p></o:p></span></font></b></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>gmake:
*** [bin/molprop_2002_6_i4_p4_mpi.exe] Error 1<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>…….<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>What’s
the reason for this error? How can I get rid of it ?<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>Thanks
a lot in advance!<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>Yuxin
Zhaung<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'>CNIC,
CAS<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-autospace:none'><font
size=1 face=Arial><span lang=EN-US style='font-size:9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
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