Molpro2002.6 on HP Superdome

Jyh-Shyong Ho c00jsh00 at nchc.org.tw
Thu Nov 6 12:51:09 GMT 2003


Dear Mr. Wilson,

Thanks for your information, I tried, but it doesn't work,
I got the same error message.

Jyh-Shyong Ho

On Thu, 06 Nov 2003 11:57:27 +0000, Nick Wilson wrote
> 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/)


--
NCHC (http://www.nchc.org.tw/)




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