[gmx-users] Installation Problem

[Mark Abraham]

farzaneh fatahi wrote:
> Dear gmx-users!
> Hi,
> I am trying to install an old version of Gromacs (gromacs-localp-3.0.2)
> for local pressure calculation.
> I successfully configured the gromacs with:
> ./configure –program-suffix=_d –prefix=/usr/local/gromacs333_double 
> –enable-double

Perhaps you should not try to install it in a directory that will make 
you think it was version 3.3.3.

Also, I don't believe any of those configure options will work, because 
they all need two hyphens before them, not one. The output below is 
consistent with these not being read.

> ...........................................
> ...........................................
> GROMACS / LOCALPRESSURE is ready to compile.
> * Binaries and libraries for this host will be installed in
>     /usr/local/gromacs-localp-3.0.2-double/i686-pc-linux-gnu/bin
>     /usr/local/gromacs-localp-3.0.2-double/i686-pc-linux-gnu/lib
>   and shared data will placed in
>     /usr/local/gromacs-localp-3.0.2-double/share
>   (You can set this with --prefix, --exec-prefix and --datadir)

Note the hints with two hyphens.

> but after make command i am facing this error:
>  
> 
> ........................................
> ........................................
> Making all in src
> make[1]: Entering directory `/home/md/gromacs-localp-3.0.2/src'
> cd .. \
>    && CONFIG_FILES= CONFIG_HEADERS=src/config.h \
>       /bin/sh ./config.status
> config.status: creating src/config.h
> config.status: src/config.h is unchanged
> make  all-recursive
> make[2]: Entering directory `/home/md/gromacs-localp-3.0.2/src'
> Making all in gmxlib
> make[3]: Entering directory `/home/md/gromacs-localp-3.0.2/src/gmxlib'
> source='innerc.c' object='innerc.lo' libtool=yes \
>  depfile='.deps/innerc.Plo' tmpdepfile='.deps/innerc.TPlo' \
>  depmode=gcc3 /bin/sh ../../config/depcomp \
>  /bin/sh ../../libtool --mode=compile cc -DHAVE_CONFIG_H -I. -I. 
> -I../../src  -I../../include 
> -DGMXLIBDIR=\"/usr/local/gromacs-localp-3.0.2-double/share/top\"   -O6 
> -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double 
> -funroll-all-loops -c -o innerc.lo `test -f innerc.c || echo './'`innerc.c
> cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
> -DGMXLIBDIR=\"/usr/local/gromacs-localp-3.0.2-double/share/top\" -O6 
> -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double 
> -funroll-all-loops -c innerc.c -MT innerc.lo -MD -MP -MF 
> .deps/innerc.TPlo -o innerc.o
> innerc.c:25018:7: error: invalid suffix "a" on integer constant
> innerc.c: In function 'inl3302':
> innerc.c:25018: error: expected ';' before ')' token
> innerc.c:25018: error: expected statement before ')' token
> innerc.c:25018: error: expected expression before '=' token
> innerc.c:27591:7: error: invalid suffix "a" on integer constant
> innerc.c: In function 'inl3402':
> innerc.c:27591: error: expected ';' before ')' token
> innerc.c:27591: error: expected statement before ')' token
> innerc.c:27591: error: expected expression before '=' token
> make[3]: *** [innerc.lo] Error 1
> make[3]: Leaving directory `/home/md/gromacs-localp-3.0.2/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/home/md/gromacs-localp-3.0.2/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/home/md/gromacs-localp-3.0.2/src'
> make: *** [all-recursive] Error 1

If this GROMACS version required double precision, then your configure 
statement is probably the problem.

Mark