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Step-by-step instructions to build KAPSEL †

If KAPSEL binaries do not run on your machine, or if you want to modify KAPSEL source codes for your own purpose, you can build KAPSEL binaries from the source package.

STEP 0: Linux or Windows? †

• To build KAPSEL on Linux, goto STEP 1.

• To build KAPSEL on Windows, install "Cygwin" first, then goto STEP 1. Be sure to include "gcc", "make" (both exist under "Devel" tree), and "unzip" (under "Archive" tree) packages.

• KAPSEL can be build also on Mac OS-X. (not officially supported)

STEP 1: Download and install GOURMET †

• Visit OCTA-BBS and Login. Registration is required if you haven't yet complete it.

• For Linux
  • Follow "DOWNLOAD" -> "OCTA2007" -> "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux".
  • download "gourmet_2007_linux.tar.gz"

   > tar zxvf gourmet_2007_linux.tar.gz
   > su
   > mkdir /usr/local/OCTA2007
   > mv GOURMET_2007 /usr/local/OCTA2007/.

• For Windows
  • Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)".
  • download "GOURMET2007.exe" and click it.

STEP 2: Build "libplatform" †

• "libplatform" is an I/O library developed by OCTA project. One needs this library to access to UDF-formatted files.

• For Linux:

   > su
   > cd /usr/local/OCTA2007/GOURMET_2007
   > tar zxvf gourmet2007_src.tar.gz
   > cd src
   > make
   > make install

• For Windows:
  • Logon Windows with an administrator authorization
  • Open Cygwin window

   $ ln -s /cygdrive/c/OCTA2007/ /usr/local/.
   $ cd /usr/local/OCTA2007/GOURMET_2007
   $ unzip GOURMET_2007_SRC.zip
   $ cd src
   $ make
   $ make install

• See manuals for more detailed information on libplatform
  • English: libplatform_eng.pdf
  • Japanese: libplatform_jpn.pdf

STEP 3: Download "KAPSEL" source code †

• Visit KAPSEL-BBS and Login. Registration is required if you haven't yet complete it.

• Follow "DOWNLOAD" -> "KAPSEL-2" to download "kapsel2_src.zip".

STEP 4: Build "KAPSEL" binary executable †

   > unzip kapsel2_src.zip
   > make

STEP 5: Test run †

   > ./kapsel -Icolloid_1.udf -Ooutput.udf -Ddefine_2.10.udf -Rrestart.udf
   #using colloid_1.udf as input
   #using output.udf as output
   #using define_2.10.udf as definition
   #using restart.udf as restart
   #
   # Electrolyte eq. selected.
   #
   ...

• If you see the output as shown in the above panel, KAPSEL has been successfully built.

Optional information for Intel compiler †

STEP 2a: Build "libplatform" with icc on Linux †

• For icc 7.1:

   > su
   > cd /usr/local/OCTA2007/GOURMET_2007/src
   > make clean
   > make WITHFC=no CC=icc CXX=icc
   > make install

• For icc8.0:

   > su
   > cd /usr/local/OCTA2007/GOURMET_2007/src
   > make clean
   > make WITHFC=no CC=icc CXX="icpc -U GNU "
   > make install

• For icc8.1 or later:

   > su
   > cd /usr/local/OCTA2007/GOURMET_2007/src
   > make clean
   > make WITHFC=no CC=icc CXX="icpc -lcxaguard"
   > make install

STEP 4a: Build "KAPSEL" with icc on Linux †

• For icc

   > make clean
   > make ENV=ICC

• For icc + MKL + OpenMP

   > make clean
   > make ENV=ICC_MKL_OMP