DOCK Compilation

Generic Instructions

Untar the DOCK distribution.

cd dock6/install

Select the correct Makefile for your platform, and run the configure script.

./configure gnu
make install

Compilation Blue Gene

For the front end node, gnu compilers work well. For the compute nodes, use the provided bluegenel and bluegenep files respectively. Note that energy grids have to be generated on the front end node in order to work on the compute nodes. Copying grids generated on a regular unix machine will not work due to different endian conventions.

Partial configuration file Makefile for BG/L

CC=          blrts_xlc
CXX=         blrts_xlC
BGL_SYS=     /bgl/BlueLight/ppcfloor/bglsys
CFLAGS=      -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK \
            -I$(BGL_SYS)/include -lmassv \
            -qarch=440d -qtune=440 -qinline -O5
FC=          blrts_xlf90
FFLAGS=      -qarch-440d -qtune=440 -O5
LOAD=        blrts_xlC
LIBS=        -lm -L$(BGL_SYS)/lib -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts

Partial configuration file for BG/P

CC=          mpixlc
CXX=         mpixlcxx
BGP_SYS=     /bgsys/drivers/ppcfloor
CFLAGS=      -qarch=450d -qtune=450 -O5  \
             -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK
FC=          mpixlf90
FFLAGS=      -qarch-450d -qtune=450 -O5
LOAD=        mpixlcxx
LIBS=         -lm
AR=          ar rv
LEX=         flex
OCFLAGS=     -D_ANSI_SOURCE
RANLIB=      ranlib