Molpro2002.6 on HP Superdome
Jyh-Shyong Ho
c00jsh00 at nchc.org.tw
Wed Nov 5 13:14:08 GMT 2003
> Dear Molpro users,
>
> Perhaps someone can help me.
>
> I am trying to install Molpro2002.6 on our new
> HP Superdome computer, command
> uname -a
> gives me the following information:
> HP-UX hermes1 B.11.23 U ia64 0658772443 unlimited-user license
>
> Molpro's command "configure" failed for not been able
> to recognize the machine type:
>
> hermes1 73: ./configure -i8 -mpp
> Program will be built for parallel execution
> Machine architecture is unix unix-i8 unix-hp unix-ia64
> Additional compilation pre-processor flags: mpp eaf
> Your current f90 compiler version is
> HP F90 v2.7.2
> Do wish to use tcgmsg, mpi, or myrinet? [mpi]
> ...
>
> Enter max number of atoms [ 200]:
> Enter max number of valence orbitals [ 300]:
> Enter max number of basis functions [2000]:
>
> If you wish to use a system BLAS library, please give the maximum
> level (0, 1, 2, 3, or 4) of BLAS to be supplied by the system
> If the system blas only supports 32 bit integers, only 0 or 4 can be used
> 4 is recommended for IBM, SGI, SUN, FUJITSU
> (default 3):
>
> Please give any loader options (-L, -l) needed to access the BLAS library
> (default -lblas):
>
> Installed binaries directory [/usr/local/bin]
> /package/chem/molpro/molpro2k2.6/bin
> Installed auxiliary directory [/usr/local/lib/molpro-mpp-HP-UX-i8-2002.6]
> /package/chem/molpro/molpro2k2.6/lib
> Cannot link with any objects !
> This architecture or combination of architecture and integer
> size is proably not supported. Sorry ....
>
> Any suggestion on how to fix this problem?
> Thanks for your help.
>
> Best regards
>
> Jyh-Shyong Ho,PhD.
> Research Scientist
> National Cener for High-Performance Computing
> Hsinchu, Taiwan, ROC
--
NCHC (http://www.nchc.org.tw/)
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