How to compile DOCK

Revision as of 15:07, 11 November 2008 by Kolb (Talk)

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Checking out the source files

  • change to cshell.
  • create a directory for the source files.
  • change to this directory.
  • set the environment variable for CVS.
  • check out the dock sources.
  • check out the auxilliary libraries.

As commands:

mkdir /where/to/put/dock35
cd /where/to/put/dock35
setenv CVSROOT /raid1/cvs
cvs co dock
cd dock/
cvs co libfgz

Compiling the program

On a 64-bit machine, e.g. one of the compilation nodes on the shared QB3 cluster (optint1 or optint2):

cd libfgz/
cp Makefile Makefile.old
modify Makefile:
 FC = ifort -O3
 CC = icc -O3
 SOURCES = gzopen.F gzclose.F gzread.F gzwrite.F gzbread.F gzbwrite.F gztell.F gzseek.F ftn_gzio.c
cd ../i386/
cp Makefile Makefile.old
modify Makefile (requires only uncommenting the following lines and commenting the respective pendants)
 F77 = ifort
 FFLAGS = -O3 -convert big_endian
 dock: $(ALLOBJS) dock.o
        @echo Linking all objects and creating dock
        @$(F77) $(FFLAGS) -Bstatic dock.o $(ALLOBJS) -L../libfgz -lfgz -lz -o dock