- The added line is THIS COLOR.
- The deleted line is THIS COLOR.
* Step-by-step instructions to build KAPSEL [#m21c6f6d]
* Installation of KAPSEL binary [#h03d9749]
** STEP 0: Linux or Windows? [#aee6273c]
** STEP 1: Download "KAPSEL" [#ja8071fa]
- To build KAPSEL on Linux, goto STEP 1.
- Visit [[KAPSEL-BBS:http://www.cheme.kyoto-u.ac.jp/1koza/kapsel/phpBB3/]] and Login. Registration is required if you haven't yet complete it.
- To build KAPSEL on Windows, install "[[Cygwin:http://cygwin.com]]" first, then goto STEP 1. Be sure to include "gcc" and "make" packages.
- Follow "DOWNLOAD" -> "KAPSEL-2" -> "KAPSEL-2" to download "kapsel2_linux.tar.gz" (Linux) or "kapsel2_win.zip" (Windows) .
- KAPSEL can be build also on Mac OS-X. (not officially supported)
** STEP 2: Test "KAPSEL" [#l8a9ee25]
** STEP 1: Download and install "Gourmet" [#hdf41283]
- "Gourmet" is a graphic platform developed by OCTA project. The entire OCTA package is not necessarily. Only Gourmet is required to use KAPSEL.
- for Linux
- Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it.
> tar zxvf kapsel2_linux.tar.gz
> ./kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf
- Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)" or "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux" to download "Gourmet" package.
- for Windows
-- unzip "kapsel2_win.zip"
-- open command prompt
- Follow the instruction there to install "Gourmet".
> kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf
** STEP 2: Build "libplatform" [#tbb7046c]
- If you see the output as shown below, KAPSEL has been successfully installed.
- "libplatform" is an I/O library developed by OCTA project. One needs this library to access to UDF-formatted files.
- Instruction for Linux:
> su
> cd /usr/local/OCTA2007/GOURMET_2007
> tar xvfpz gourmet*_src.tar.gz
> cd src
> make
> make install
- Instruction 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
** STEP 3: Download "KAPSEL" [#ja8071fa]
- Visit [[KAPSEL-BBS:http://www.cheme.kyoto-u.ac.jp/1koza/kapsel/phpBB3/]] and Login. Registration is required if you haven't yet complete it.
- Follow "DOWNLOAD" -> "KAPSEL-2" -> "KAPSEL-2" to download "kapsel.tar.gz".
** STEP 4: Build "KAPSEL" [#yd1b04b3]
> tar xvfpz kapsel.tar.gz
> make
** STEP 5: Test "KAPSEL" [#l8a9ee25]
> ./kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf
#using sample1.udf as input
#using output.udf as output
#using define.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 [#hc2750d1]
** STEP 2a: Build "libplatform" with icc on Linux [#t9627f89]
** STEP 3: Download and install "Gourmet" [#hdf41283]
- "Gourmet" is a graphic platform developed by OCTA project. The entire OCTA package is not necessarily. Only Gourmet is required to use KAPSEL.
- for icc 7.1:
- Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it.
> su
> cd /usr/local/OCTA2007/GOURMET_2007/src
> make clean
> make WITHFC=no CC=icc CXX=icc
> make install
- Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)" or "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux" to download "Gourmet" package.
- for icc8.0:
- For Linux
> su
> cd /usr/local/OCTA2007/GOURMET_2007/src
> make clean
> make WITHFC=no CC=icc CXX="icpc -U GNU "
> make install
-- download "gourmet_2007_linux.tar.gz"
- for icc8.1 or later:
> tar zxvf gourmet_2007_linux.tar.gz
> su
> cd /usr/local/OCTA2007/GOURMET_2007/src
> make clean
> make WITHFC=no CC=icc CXX="icpc -lcxaguard"
> make install
> mkdir /usr/local/OCTA2007
> mv GOURMET_2007 /usr/local/OCTA2007/.
- numerous warnings may appear but can be ignored them.
- For Windows
** STEP 4a: Build "KAPSEL" with icc on Linux [#zb3a949c]
-- click "GOURMET2007.exe"
- for icc
> make clean
> make ENV=ICC
- for icc + MKL + OpenMP
> make clean
> make ENV=ICC_MKL_OMP
- numerous warnings may appear but can be ignored them.