Re: [ESPResSo] compilation on AIX

[Christopher Jesudason]

Dear Karel,
I am writing this to people who are also trying to use
Espresso so that we can excahnge notes because the
developers so not provide precise details; I do not
konw C very well, and there is little on the writup of
the C code and how it interfaces with the TCL script.

I  have compiled Espresso on a single desktop. In this
case I follwed the instructions (Linux Fedora core 6
destop) as given  in the manual. I noticed that there
were two config files; myconfig.h  and config.h and
you must modify these and then compile and then make
them.
2) As a matter of interest, what systems are you
trying to simulate?
I would be interested if you know how to setup a
system 
which has rigid bond lengths but on a flexible chain.
I  coudl nto get this to work.
Chris
--- Karel Jelinek <address@hidden>
wrote:

> Hallo!
> 
> I am trying to compile Espresso on AIX system (on
> Jump in Juelich).
> 
> I use:
> > ./configure LDFLAGS="-L/usr/local/beta/tcl/lib
> -lm" 
> CPPFLAGS="-I//usr/local/beta/tcl/include"
> --enable-xlc-qipa
> --with-tcl=tcl8.3
> > gmake
> 
> Configure works fine but gmake produces an error:
> 1506-173 (W) Option MD is not valid. Enter xlc for
> list of valid options.
> 1506-297 (S) Unable to open input file main.o. A
> file or directory in the 
> path
> name does not exist..
> (the complete output is below).
> 
> Does anybody know what is the problem? Thank You.
> 
> Karel
> 
> gmake's output:
> 
> cd obj-Power4-ibm-aix5.3 && gmake --print-directory
> Makefile
> gmake[1]: Entering directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> gmake[1]: Nothing to be done for `Makefile'.
> gmake[1]: Leaving directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> cd obj-Power4-ibm-aix5.3 && gmake --print-directory
> all
> gmake[1]: Entering directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> gmake  all-recursive
> gmake[2]: Entering directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> Making all in .
> gmake[3]: Entering directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> source='../main.c' object='main.o' libtool=no \
> DEPDIR=.deps depmode=gcc /bin/sh ../config/depcomp \
> mpcc -D 'MYCONFIG_H="myconfig.h"' -I. -I.. -I. -I
> config 
> -I/usr/local/beta/tcl/include -I/usr/local/include 
> -qinline=100000 -pg -g 
> -qmaxmem=-1 -qcpluscmt -qfloat=rsqrt:fltint:fold:maf
> -qhot -Wc,-qipa -O3 
> -qtune=pwr4 -qarch=pwr4  -c -o main.o ../main.c
> 1506-173 (W) Option MD is not valid. Enter xlc for
> list of valid options.
> 1506-297 (S) Unable to open input file main.o. A
> file or directory in the 
> path name does not exist..
> "main.o", line 1.1: 1506-356 (W) Compilation unit is
> empty.
> gmake[3]: *** [main.o] Error 1
> gmake[3]: Leaving directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> gmake[2]: *** [all-recursive] Error 1
> gmake[2]: Leaving directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> gmake[1]: *** [all] Error 2
> gmake[1]: Leaving directory 
>
`/home5/ecz04/ecz040/zuzi/esp_source/obj-Power4-ibm-aix5.3'
> gmake: *** [all] Error 2
> 
>
---------------------------------------------------------
> Dr. Karel Jelinek
> Department of Physical and Macromolecular Chemistry
> Faculty of Sciences
> Charles university in Prague
> Albertov 6, 12000 Prague, Czech Republic
> 
> 
> _______________________________________________
> ESPResSo mailing list
> address@hidden
>
https://fias.uni-frankfurt.de/mailman/listinfo/espresso
> 



      
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