[CPMD-list] Re: Troubleshooting with installation

[Kutlán Diana]

Dear  Ari P Seitsonen !

Thank you for your kind answer. I downloaded the blas program, 
but this tar file (blas_irix64-n32.tgz) contains only a blas_irix64-n32.a 
file instead of libblas.so file, which you mentioned before.
I'm asking your help, becouse I lag behind in my post doc course. I'd 
like to say, that I'm a synthetic chemist with a interest in the field of 
theoretical chemistry,  therefore I'm not an expert in unix (irix), but I 
used it before.


Regards


Ari P Seitsonen <Ari.P.Seitsonen at PCI.unizh.ch> írta:

> 
> Dear Diana,
> 
>   The problem is related to the BLAS library; on the SGI origin, in which
> I have an account, it is located in the standard path:
> 
> # mymachine (~) : find /usr/lib* -name '*blas*' -print
> # /usr/lib/images/blast.icon
> # /usr/lib/filetype/system/iconlib/blast.fti
> # /usr/lib/desktop/iconcatalog/pages/C/Demos/blast
> # /usr/lib/libblas.so
> # /usr/lib/libblas_mp.so
> # /usr/lib32/mips3/libblas.so
> # /usr/lib32/mips3/libblas_mp.so
> # /usr/lib32/mips4/r8000/libblas.so
> # /usr/lib32/mips4/r8000/libblas_mp.so
> # /usr/lib32/mips4/libblas_mp.so
> # /usr/lib32/mips4/libblas.so
> # /usr/lib32/libblas.so
> # /usr/lib32/libblas_mp.so
> # /usr/lib64/mips3/libblas.so
> # /usr/lib64/mips3/libblas_mp.so
> # /usr/lib64/mips4/r8000/libblas_mp.so
> # /usr/lib64/mips4/r8000/libblas.so
> # /usr/lib64/mips4/libblas.so
> # /usr/lib64/mips4/libblas_mp.so
> # /usr/lib64/libblas.so
> # /usr/lib64/libblas_mp.so
> 
> If your system doesn't have blas installed you can easily compile it
> yourself (the source is available under http://www.netlib.org/).
> 
>     Saluti da Zurigo,
> 
>        apsi
> 
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
=*=-=*=-=*=-=*=-=*=-
>  Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>  Tel +41 1 635 44 97 / Fax +41 1 635 68 38 / GSM +41 79 719 09 35
>  Anschrift: Physikalisch Chemisches Institut (PCI), Universität Zürich 
(UniZh)
>  Indirizzo: Winterthurerstraße 190, CH-8057 Zürich
>  Address:   Schweiz / Svizzera / Suisse / Svizra / Switzerland
> 
> On Tue, 4 Nov 2003, [ISO-8859-2] Kutlán Diana wrote:
> 
> >
> > >
> > > Dear CPMD group!
> > >
> > > I got the license of CPMD program (two weeks before) and I tried 
to
> > > install this to the SGI R12000 computer, but during the 
translation a
> > > problem occurred. I followed the instruction in manual:
> > >
> > > - at first I extracted the tar file (cpmdv37_2.tar) with tar
> > >
> > > - secondly I made the Makefile: configure SGI-ORIGIN (and SGI-
> > ORIGIN-
> > > MPI) > Makefile
> > >
> > > - thirdly: make -f Makefile
> > >
> > > During the translation a problem occurred, but I did not 
understand
> > it. I
> > > supposed, that some files are missing.
> > >
> > > I listed all the *.o, *.f and *.c file and I compared these files. I am 
not
> > > an
> > > expert but I recognized that two .c files (fdate.c and timef.c) has 
not
> > > got
> > > a pair among the *.o files, namely this two C++ file have not got
> > > equivalent object files. Moreover the fdata.c file proved to be an
> > empty
> > > file and the timef.c contains only comments.
> > >
> > > Is it possible, that the SGI-ORIGIN platform name is wrong for the
> > SGI
> > > OKTANE?
> > > or can you send me the correct fdate.c and timef.c file?
> > >
> > > In order to illustrate the problem I copy here the end of my 
make.log
> > > file, which is the output file containing the errors.
> > >
> > > Please help me, because I cannot use this program at this time.
> > >
> > > On the other hand I'd like to ask you, if it is possible, please send 
me
> > > some examples about the input file, because some parts of the
> > manual
> > > is not so clear for me and I hope that your examples can clarify 
every
> > > details.
> > >
> > > Regards
> > >
> > > Zoltan Mucsi
> > >
> > >
> > >
> > > kdp_stress_kin.o kdpoints.o  rhoofr_kdp.o  mm_detsp.o mm_init.o
> > > mm_dim.o mm_qmmm_forcedr.o  mm_mdmain.o mm_coninp.o
> > > mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o
> > > mm_cpmd_ext_pot_f77.o vdwin.o vdw.o  sysdepend.o 
shmemory.o -
> > > lcomplib.sgimath -lblas -lmpi
> > > *** Error code 2 (bu21)
> > >
> > > ld64: FATAL   9  : I/O error (-lblas): No such file or directory
> > > *** Error code 2 (bu21)
> >
> > _______________________________________________
> > CPMD-list mailing list
> > CPMD-list at cpmd.org
> > http://www.cpmd.org/mailman/listinfo/cpmd-list
> >
> 
> 
>