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
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