[CPMD-list] Instalation Problems

[Ari.P.Seitsonen at iki.fi]

Dear Sidney,

  Gromos is NOT part of the CPMD distribution, you cannot compile it
without special software.

    Greetings,

       apsi

> I tried to install the versions 3.5, 3.5.2 and 3.7 of CPMD in a PC, using
> Intel Fortran Compiler 7.0 in the Red Hat Linux 8.0. But in all
> this versions the "Configure" didn't could be found the Gromos and
> the MM_Interface directory.  I took a look in the SOURCE directory
> and there isn't this directories.
> This way the compilation fail, please see below !!!
> 
> ld: cannot open output file ./Gromos/blockio.o: No such file or directory
> make: *** [Gromos/blockio.o] Error 1
> Command exited with non-zero status 2
> 578.68user 29.55system 11:12.92elapsed 90%CPU (0avgtext+0avgdata 
> 0maxresident)k
> 0inputs+0outputs (939239major+1617760minor)pagefaults 0swaps
> 
> Is this version completed ?
> Can you help me?
> What can I do ?
> 
> Please see below, this is a example for CPMD 3.7:
> [root at rumba SOURCE]# pwd
> /programs/CPMD-3.7/SOURCE
> [root at rumba SOURCE]# nohup ./Configure -makefile -qmmm PC-IFC > Makefile &
> [5] 10206
> [root at rumba SOURCE]# Default configuration for PC-IFC.
> Creation of Makefile: ./Makefile
> The source directory is: .
> The object directory is: .
> The file ./irat.inc is correct.
> The file ./gromos.h is changed.
> Add OBJECTS (object files)...done.
> Add QMMM_OBJECTS (object files)...done.
> Add INCFILES (include files)...done.
> Add  Gromos INCFILES (include files)...ls: Gromos/*.h: No such file or 
> directory
> done.
> Add explicit rules...done.
> Create dependencies...done dep main.
> create gromos dependencies
> ls: Gromos/*.F: No such file or directory
> ls: MM_Interface/*.F: No such file or directory
> create mm_interface dependencies
> done.
> O.K.
> [root at rumba SOURCE]#
> [5]+  Done                    nohup ./Configure -makefile -qmmm PC-IFC 
>  >Makefile
> 
> 
> 
> 
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> 

-- 
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 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)
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 Address:   Schweiz / Svizzera / Suisse / Svizra / Switzerland