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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