Molpro2002.6 on HP Superdome

Nick Wilson N.Wilson at bham.ac.uk
Thu Nov 6 11:57:27 GMT 2003


Dear Jyh-Shyong,

You can try:

cd parse
ln -s parse-ia64-hp-hpux11.20-i8.o.gz parse-ia64-hp-hpux11.23-i8.o.gz

and then try configure again.
Best wishes,
Nick Wilson

Jyh-Shyong Ho wrote:
>>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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