[CPMD-list] Instalation Problems

Sidney Ramos de Santana sidney at dqf.ufpe.br
Mon Feb 10 16:44:00 CET 2003


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 ?

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

Respectfully,

Sidney Ramos
Computational Chemistry Lab.
Fundamental Chemitry Department - CCEN - UFPE





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