[molpro-user] Linking error when installing molpro on P4 using IFC

[Alexander Mitrushchenkov]

Please not that you need Global Arrays library for parallel installation. You 
may consult the installation manual on Molpro Web site or in the manual you 
have received with a copy of Molpro.

Best wishes,

Alexander Mitrushchenkov



On Wednesday 11 July 2007 05:52, you wrote:
> Hello everyone:
>
>
>
> 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.
>
> The molpro is comfigured in this way :
>
> ./configure -i4 -largefiles -mpp -L /share/apps/molpro/mkl/lib/32
>
> And the IA32ROOT is properly set..
>
>
>
> In the process of compilation, I encountered the linking error as follows:
>
> ...
>
> link date: 10 Jul 2007 23:17:06 ; version: 2002.6
>
> Installed patches: absoft_opt1 absoft_quad acml alaska_ff altix_reshape
> amd64_ifc_i8_blas4a 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 xlf9a xlf_ndi2
>
> molver.f: compiling ... done
>
> linking /share/apps/molpro/molpro2002.6/bin/molprop_2002_6_i4_p4_mpi.exe
>
> link failed
>
> /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
>
> ld: cannot find -lglobal
>
> gmake: *** [bin/molprop_2002_6_i4_p4_mpi.exe] Error 1
>
> ...
>
>
>
> What's the reason for this error? How can I get rid of it ?
>
>
>
> Thanks a lot in advance!
>
>
>
> Yuxin Zhaung
>
> CNIC, CAS

-- 
Dr. Alexander Mitrushchenkov

Universität Stuttgart
Institut für Theoretische Chemie
Pfaffenwaldring 55
D-70569 Stuttgart

Tel +49 (0)711 / 685-64409
Fax +49 (0)711 / 685-64442
Mail sasha at theochem.uni-stuttgart.de