[CPMD-list] Instalation Problems

[Axel Kohlmeyer]

On Mon, 10 Feb 2003 13:44:00 -0200  Sidney Ramos de Santana wrote:

> Dear CPMD Users,
> 
> 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 ?

hello!

> 
> 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 &
                                                   ^^^^^^
do not use the '-qmmm' option. the QMMM-interface implementation 
in the official releases is not complete.

cheers,
	axel.

> [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
> 
> Respectfully,
> 
> Sidney Ramos
> Computational Chemistry Lab.
> Fundamental Chemitry Department - CCEN - UFPE
> 
> 
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> CPMD-list at cpmd.org
> http://www.cpmd.org/mailman/listinfo/cpmd-list
> 

--

=======================================================================
Axel Kohlmeyer      e-mail:  axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.