[gmx-users] getting gromacs 3.1.4 compiled on freebsd

[Ken Chase]

Having a few problems here:

This is what I've got installed:

drwxrwxr-x  11 root  wheel     1024 Oct 28 17:13 lam-6.5.4
drwxrwxrwx  13 500   100       1024 Oct 28 18:32 fftw-2.1.3
drwxrwxrwx   9 4008  100        512 Oct 28 18:34 gromacs-3.1.4


I installed lam 6.5.4 first:

./configure  --with-rsh="ssh -x -1" --with-tcp-short=$[ 1024 * 1024 ]  --with-cc=/usr/bin/gcc  --with-shm-short=$[ 2 * 1024 * 1024 ]
make
make install

(successful)

then fftw 2.1.3:

./configure --enable-float --enable-mpi --enable-i386-hacks 
make
make install

then gromacs:

 ./configure --enable-mpi 
source='bondfree.c' object='bondfree.lo' libtool=yes  depfile='.deps/bondfree.Plo' tmpdepfile='.deps/bondfree.TPlo'  depmode=gcc /bin/sh ../../config/depcomp  /bin/sh ../../libtool --mode=compile mpicc -DHAVE_CONFIG_H -I. -I. -I../../src  -I/usr/X11R6/include -I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\"   -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -c -o bondfree.lo `test -f bondfree.c || echo './'`bondfree.c
mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include -I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -c bondfree.c -Wp,-MD,.deps/bondfree.TPlo -o bondfree.o
In file included from bondfree.c:50:
../../include/orires.h:54: syntax error before `t_fcdata'
../../include/orires.h:59: syntax error before `t_fcdata'
../../include/orires.h:65: syntax error before `t_fcdata'
../../include/orires.h:72: syntax error before `t_fcdata'
bondfree.c:76: syntax error before `t_fcdata'
bondfree.c: In function `calc_bonds':
bondfree.c:78: number of arguments doesn't match prototype
/usr/local/include/bondf.h:62: prototype declaration
bondfree.c:83: `bSepDVDL' undeclared (first use in this function)
bondfree.c:83: (Each undeclared identifier is reported only once
bondfree.c:83: for each function it appears in.)
bondfree.c:84: `step' undeclared (first use in this function)
bondfree.c:84: `cr' undeclared (first use in this function)
bondfree.c:84: warning: passing arg 1 of `fprintf' from incompatible pointer type
bondfree.c:87: warning: passing arg 1 of `set_gmx_full_pbc' from incompatible pointer type

etc (dozens of errors follow).

I've successfully compiled for freebsd for earlier versions. 

Hints? Thanks!

/kc
-- 
Ken Chase, math at velocet.ca  *  Velocet Communications Inc.  *  Toronto, CANADA